3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide
TL;DR: 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide (CAS 98925-99-6) is a chemical compound with molecular formula C27H45NO6S and molecular weight 511.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[1-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]cyclopropanecarbonyl]amino]ethanesulfonic acid
Also Known As: 3,7-Dmcos, 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide, 2-[[2-[1-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl]cyclopropanecarbonyl]amino]ethanesulfonic acid
| Molecular Formula | C27H45NO6S |
|---|---|
| Molecular Weight | 511.30 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.29675 |
| Heavy Atoms | 35 |
| Complexity | 934.0 |
Chemical Identifiers
| CAS Number | 98925-99-6 |
|---|---|
| SMILES | CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)C5CC5C(=O)NCCS(=O)(=O)O |
| InChIKey | GVXYQXMZUGYSCA-CENHUKEISA-N |
Product Overview
3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide (CAS 98925-99-6), with molecular formula C27H45NO6S and molecular weight 511.30 g/mol. IUPAC: 2-[[2-[1-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]cyclopropanecarbonyl]amino]ethanesulfonic acid.
Chemical Property Profile of 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide
Property Insights of 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide
The XLogP value of 3.6 indicates that 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide. Following Lipinski's Rule of Five, 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide has 4 hydrogen bond donor(s) and 6 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-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide?
The CAS number of 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide is 98925-99-6.
What is the molecular formula of 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide?
The molecular formula of 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide is C27H45NO6S.
What is the molecular weight of 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide?
The molecular weight of 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide is 511.30 g/mol.
Where can I buy 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide?
You can request a quote for 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.