3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid
TL;DR: 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid (CAS 5399-41-7) is a chemical compound with molecular formula C27H42O5 and molecular weight 446.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Also Known As: 3-hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid, 4-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30 g/mol |
| LogP | 4.8913 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 831.9033 |
Chemical Identifiers
| CAS Number | 5399-41-7 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2(C1(CC(=O)C3C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C |
Product Overview
3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid (CAS 5399-41-7), with molecular formula C27H42O5 and molecular weight 446.30 g/mol. IUPAC: 4-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid.
Chemical Property Profile of 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid
Property Insights of 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid
The XLogP value of 4.8913 indicates that 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid. Following Lipinski's Rule of Five, 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid?
The CAS number of 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid is 5399-41-7.
What is the molecular formula of 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid?
The molecular formula of 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid is C27H42O5.
What is the molecular weight of 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid?
The molecular weight of 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid is 446.30 g/mol.
Where can I buy 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid?
You can request a quote for 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-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 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4,4,14-trimethyl-7,11-dioxocholan-24-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.