3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid
TL;DR: 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid (CAS 59551-30-3) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: N-Methylnicoton, KST-1A6342, 1-Methyl-3-(1-methylpyrrolidyl-(2)-)pyridone, 3-hydroxy-4,4,14-trimethyl-11-oxocholan-24-oic acid, (3
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 59551-30-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
| InChIKey | FBWKZBCHBYJECA-VNTNCOCVSA-N |
Product Overview
3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid (CAS 59551-30-3), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid
Property Insights of 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid
The XLogP value of 5.9 indicates that 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid. Following Lipinski's Rule of Five, 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid?
The CAS number of 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid is 59551-30-3.
What is the molecular formula of 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid?
The molecular formula of 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid is C27H44O4.
What is the molecular weight of 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid?
The molecular weight of 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid is 432.32 g/mol.
Where can I buy 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid?
You can request a quote for 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Hydroxy-4,4,14-trimethyl-11-oxo-5alpha-cholan-24-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.