3,7-二羟基-25-高胆烷-25-磺酸盐
TL;DR: 3,7-二羟基-25-高胆烷-25-磺酸盐 (CAS 145523-80-4) is a chemical compound with molecular formula C25H44O5S and molecular weight 456.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-二羟基-25-高胆烷-25-磺酸盐
(5R)-5-[(3R,5S,7R,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]hexane-1-sulfonic acid
Also Known As: Homocdc-sul, 3,7-Dihydroxy-25-homocholane-25-sulfonate, 3alpha,7alpha-Dihydroxy-25-homo-5beta-cholane-25-sulfonate, (5R)-5-[(3R,5S,7R,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]hexane-1-sulfonic acid, 26,27-Dinorcholestane-25-sulfonic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)-
| Molecular Formula | C25H44O5S |
|---|---|
| Molecular Weight | 456.29 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.29095 |
| Heavy Atoms | 31 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 145523-80-4 |
|---|---|
| SMILES | C[C@H](CCCCS(=O)(=O)O)[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 |
| InChIKey | IANJIVUFAULQJH-SHUSUIPQSA-N |
Product Overview
3,7-二羟基-25-高胆烷-25-磺酸盐 (CAS 145523-80-4), with molecular formula C25H44O5S and molecular weight 456.29 g/mol. IUPAC: (5R)-5-[(3R,5S,7R,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]hexane-1-sulfonic acid.
Chemical Property Profile of 3,7-二羟基-25-高胆烷-25-磺酸盐
Property Insights of 3,7-二羟基-25-高胆烷-25-磺酸盐
The XLogP value of 5.2 indicates that 3,7-二羟基-25-高胆烷-25-磺酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-二羟基-25-高胆烷-25-磺酸盐. Following Lipinski's Rule of Five, 3,7-二羟基-25-高胆烷-25-磺酸盐 has 3 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 3,7-二羟基-25-高胆烷-25-磺酸盐?
The CAS number of 3,7-二羟基-25-高胆烷-25-磺酸盐 is 145523-80-4.
What is the molecular formula of 3,7-二羟基-25-高胆烷-25-磺酸盐?
The molecular formula of 3,7-二羟基-25-高胆烷-25-磺酸盐 is C25H44O5S.
What is the molecular weight of 3,7-二羟基-25-高胆烷-25-磺酸盐?
The molecular weight of 3,7-二羟基-25-高胆烷-25-磺酸盐 is 456.29 g/mol.
Where can I buy 3,7-二羟基-25-高胆烷-25-磺酸盐?
You can request a quote for 3,7-二羟基-25-高胆烷-25-磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-二羟基-25-高胆烷-25-磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 3,7-二羟基-25-高胆烷-25-磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.