3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid
TL;DR: 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid (CAS 13222-48-5) is a chemical compound with molecular formula C26H46NO7P and molecular weight 515.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethylphosphonic acid
Also Known As: 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid, (8xi,9xi,14xi)-3alpha,7alpha,12alpha-Trihydroxy-N-(2-phosphonoethyl)-20xi-cholan-24-imidic acid, 2-[4-[(3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethylphosphonic acid
| Molecular Formula | C26H46NO7P |
|---|---|
| Molecular Weight | 515.30 g/mol |
| LogP | 2.658 |
| Topological Polar Surface Area | 147.32 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.3012 |
| Heavy Atoms | 35 |
| Complexity | 834.51794 |
Chemical Identifiers
| CAS Number | 13222-48-5 |
|---|---|
| SMILES | CC(CCC(=O)NCCP(=O)(O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C |
Product Overview
3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid (CAS 13222-48-5), with molecular formula C26H46NO7P and molecular weight 515.30 g/mol. IUPAC: 2-[4-[(3R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethylphosphonic acid.
Chemical Property Profile of 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid
Property Insights of 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid
The XLogP value of 2.658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid. The TPSA of 147.32 Ų indicates high polarity, suggesting 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid has 6 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid?
The CAS number of 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid is 13222-48-5.
What is the molecular formula of 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid?
The molecular formula of 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid is C26H46NO7P.
What is the molecular weight of 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid?
The molecular weight of 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid is 515.30 g/mol.
Where can I buy 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid?
You can request a quote for 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,7,12-Trihydroxy-N-(2-phosphonoethyl)cholan-24-imidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.