Strophanthidin 3-bromoacetate
TL;DR: Strophanthidin 3-bromoacetate (CAS 4956-18-7) is a chemical compound with molecular formula C25H33BrO7 and molecular weight 524.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,10S,13R,14S,17R)-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-bromoacetate
Also Known As: SIBA, Strophanthidin bromoacetate, Strophanthidin 3-bromoacetate, Strophanthidin, 3-bromoacetate, 4-18-00-03130 (Beilstein Handbook Reference)
| Molecular Formula | C25H33BrO7 |
|---|---|
| Molecular Weight | 524.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 524.141 |
| Heavy Atoms | 33 |
| Complexity | 903.0 |
Chemical Identifiers
| CAS Number | 4956-18-7 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)CBr)C=O)O |
| InChIKey | HQEHABLFHCPQHP-IFZLVPIESA-N |
Product Overview
Strophanthidin 3-bromoacetate (CAS 4956-18-7), with molecular formula C25H33BrO7 and molecular weight 524.14 g/mol. IUPAC: [(3S,5S,10S,13R,14S,17R)-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-bromoacetate.
Chemical Property Profile of Strophanthidin 3-bromoacetate
Property Insights of Strophanthidin 3-bromoacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Strophanthidin 3-bromoacetate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Strophanthidin 3-bromoacetate. Following Lipinski's Rule of Five, Strophanthidin 3-bromoacetate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Strophanthidin 3-bromoacetate?
The CAS number of Strophanthidin 3-bromoacetate is 4956-18-7.
What is the molecular formula of Strophanthidin 3-bromoacetate?
The molecular formula of Strophanthidin 3-bromoacetate is C25H33BrO7.
What is the molecular weight of Strophanthidin 3-bromoacetate?
The molecular weight of Strophanthidin 3-bromoacetate is 524.14 g/mol.
Where can I buy Strophanthidin 3-bromoacetate?
You can request a quote for Strophanthidin 3-bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Strophanthidin 3-bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Strophanthidin 3-bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.