O-Benzyl posaconazole

Name: O-Benzyl posaconazole
Brand: ChemScene
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CAS No. 170985-86-1
Cat. No. CS-0010891
Molecule weight790.90
Purity≥98%
MDL No.MFCD28387245

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 170985-86-1

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General Information

CAS No. 170985-86-1
Cat. No. CS-0010891
Purity ≥98%
MDL No. MFCD28387245
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄₄H₄₈F₂N₈O₄
Molecular Weight 790.90
Synonym(s) 4-[4-[4-[4-[[(3r,5r)-5-(2,4-Difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2s,3s)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one
SMILES O=C(N(N=C1)[C@@H](CC)[C@H](C)OCC2=CC=CC=C2)N1C(C=C3)=CC=C3N(CC4)CCN4C(C=C5)=CC=C5OC[C@H](CO6)C[C@@]6(C7=C(C=C(C=C7)F)F)CN8C=NC=N8

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS08
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H361-H413
Precautionary Statements : P273-P280-P405-P501

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Computational Chemistry Data

TPSA 104.7
LogP 6.7977
H_Acceptors 12
H_Donors 0
Rotatable_Bonds 15

Other Classifications

Building Blocks Functional Group Ether

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Tetrahydrofuran compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

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O-Benzyl posaconazole

CAS No. 170985-86-1

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