RefChem:385403
TL;DR: RefChem:385403 (CAS 114967-84-9) is a chemical compound with molecular formula C23H35NNa2O9S4 and molecular weight 643.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(3S,5S,10S,13S,14S,17S)-10,13-dimethyl-3-(2-oxidosulfonothioyloxyacetyl)oxy-17-[(2-sulfonatosulfanylacetyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Also Known As: Disodium i-propoxycarbonylphosphonate, Thiosulfuric acid, S-(2-oxo-2-(((3-beta,5-alpha,17-beta)-17-((sulfothio)acetyl)amino)androstan-3-yl)oxy)ethyl ester, disodium salt, disodium (3S,5S,10S,13S,14S,17S)-10,13-dimethyl-3-(2-oxidosulfonothioyloxyacetyl)oxy-17-[(2-sulfonatosulfanylacetyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene, disodium,(3S,5S,10S,13S,14S,17S)-10,13-dimethyl-3-(2-oxidosulfonothioyloxyacetyl)oxy-17-[(2-sulfonatosulfanylacetyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene, disodium;(3S,5S,10S,13S,14S,17S)-10,13-dimethyl-3-(2-oxidosulfonothioyloxyacetyl)oxy-17-[(2-sulfonatosulfanylacetyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
| Molecular Formula | C23H35NNa2O9S4 |
|---|---|
| Molecular Weight | 643.10 g/mol |
| LogP | -3.5646 |
| Topological Polar Surface Area | 161.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 643.099 |
| Heavy Atoms | 39 |
| Complexity | 1124.6316 |
Chemical Identifiers
| CAS Number | 114967-84-9 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4([C@H]3CC[C@@H]4NC(=O)CSS(=O)(=O)[O-])C)OC(=O)COS(=O)(=S)[O-].[Na+].[Na+] |
Product Overview
RefChem:385403 (CAS 114967-84-9), with molecular formula C23H35NNa2O9S4 and molecular weight 643.10 g/mol. IUPAC: disodium;(3S,5S,10S,13S,14S,17S)-10,13-dimethyl-3-(2-oxidosulfonothioyloxyacetyl)oxy-17-[(2-sulfonatosulfanylacetyl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene.
Chemical Property Profile of RefChem:385403
Property Insights of RefChem:385403
The XLogP value of -3.5646 indicates that RefChem:385403 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.96 Ų indicates high polarity, suggesting RefChem:385403 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:385403 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:385403?
The CAS number of RefChem:385403 is 114967-84-9.
What is the molecular formula of RefChem:385403?
The molecular formula of RefChem:385403 is C23H35NNa2O9S4.
What is the molecular weight of RefChem:385403?
The molecular weight of RefChem:385403 is 643.10 g/mol.
Where can I buy RefChem:385403?
You can request a quote for RefChem:385403 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:385403?
Yes, KEHONG BIO provides custom synthesis services for RefChem:385403 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.