Strophanthidin-3-chloroacetate
TL;DR: Strophanthidin-3-chloroacetate (CAS 52552-28-0) is a chemical compound with molecular formula C25H33ClO7 and molecular weight 480.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(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-chloroacetate
Also Known As: Strophanthidin-3-chloroacetate, 4-18-00-03130 (Beilstein Handbook Reference), (3-beta,5-beta)-3-((Chloroacetyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide, 3-[(Chloroacetyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide, Card-20(22)-enolide, 3-((chloroacetyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)-
| Molecular Formula | C25H33ClO7 |
|---|---|
| Molecular Weight | 480.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.19147 |
| Heavy Atoms | 33 |
| Complexity | 903.0 |
Chemical Identifiers
| CAS Number | 52552-28-0 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CCC2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)CCl)C=O)O |
| InChIKey | LFDSJZUWJKJWAH-CLEWGDABSA-N |
Product Overview
Strophanthidin-3-chloroacetate (CAS 52552-28-0), with molecular formula C25H33ClO7 and molecular weight 480.19 g/mol. IUPAC: [(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-chloroacetate.
Chemical Property Profile of Strophanthidin-3-chloroacetate
Property Insights of Strophanthidin-3-chloroacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Strophanthidin-3-chloroacetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Strophanthidin-3-chloroacetate. Following Lipinski's Rule of Five, Strophanthidin-3-chloroacetate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Strophanthidin-3-chloroacetate?
The CAS number of Strophanthidin-3-chloroacetate is 52552-28-0.
What is the molecular formula of Strophanthidin-3-chloroacetate?
The molecular formula of Strophanthidin-3-chloroacetate is C25H33ClO7.
What is the molecular weight of Strophanthidin-3-chloroacetate?
The molecular weight of Strophanthidin-3-chloroacetate is 480.19 g/mol.
Where can I buy Strophanthidin-3-chloroacetate?
You can request a quote for Strophanthidin-3-chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Strophanthidin-3-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Strophanthidin-3-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.