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RefChem:301359 structure
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RefChem:301359

TL;DR: RefChem:301359 (CAS 63979-64-6) is a chemical compound with molecular formula C28H38O9 and molecular weight 518.2516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

[(3S,5S,10S,13R,14S)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-acetyloxypropanoate

Also Known As: alpha-Acetyloxypropionyl-k-strophanthidin, k-Strophanthidin, alpha-acetyloxypropionyl-, 4-18-00-03134 (Beilstein Handbook Reference), 2-Hydroxymethyl-2-lauroylamino-propan-1,3-diol, (3-beta,5-beta)-3-(2-(Acetyloxy)-1-oxopropoxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide

CAS Number
63979-64-6
Molecular Formula
C28H38O9
Molecular Weight
518.2516 g/mol
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Technical Specifications

Molecular FormulaC28H38O9
Molecular Weight518.2516 g/mol
XLogP1.5
Topological Polar Surface Area (TPSA)136.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors9
Rotatable Bonds7
Exact Mass518.2516 Da
Heavy Atoms37
Complexity1040.0
SMILESCC(C(=O)O[C@H]1CC[C@@]2(C3CC[C@@]4(C(CC[C@@]4(C3CC[C@@]2(C1)O)O)C5=CC(=O)OC5)C)C=O)OC(=O)C
InChIKeyQBMMODUFPLCLPF-WEEXNRQCSA-N

Chemical Property Profile of RefChem:301359

XLogP
1.5
TPSA (Topological Polar Surface Area)
136.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
9
Rotatable Bonds
7
Heavy Atoms
37
Complexity
1040.0
Exact Mass
518.2516
Monoisotopic Mass
518.2516
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of RefChem:301359

The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:301359. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:301359. Following Lipinski's Rule of Five, RefChem:301359 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of RefChem:301359?

The CAS number of RefChem:301359 is 63979-64-6.

What is the molecular formula of RefChem:301359?

The molecular formula of RefChem:301359 is C28H38O9.

What is the molecular weight of RefChem:301359?

The molecular weight of RefChem:301359 is 518.2516 g/mol.

Where can I buy RefChem:301359?

You can request a quote for RefChem:301359 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:301359?

Yes, CoreyChem provides custom synthesis services for RefChem:301359 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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