Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-
TL;DR: Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)- (CAS 302-95-4) is a chemical compound with molecular formula C24H39NaO4 and molecular weight 414.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-(3,12-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)pentanoate
Also Known As: Sodium deoxycholate, Na-Desoxycholat, Deoxycholate sodium, Desoxycholate sodium, Sodium desoxycholate
| Molecular Formula | C24H39NaO4 |
|---|---|
| Molecular Weight | 414.27 g/mol |
| LogP | 0.1472 |
| Topological Polar Surface Area | 80.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.2746 |
| Heavy Atoms | 29 |
| Complexity | 611.68805 |
Chemical Identifiers
| CAS Number | 302-95-4 |
|---|---|
| SMILES | CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+] |
Product Overview
Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)- (CAS 302-95-4), with molecular formula C24H39NaO4 and molecular weight 414.27 g/mol. IUPAC: sodium 4-(3,12-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)pentanoate.
Chemical Property Profile of Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-
Property Insights of Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-
The XLogP value of 0.1472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-. The TPSA of 80.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-. Following Lipinski's Rule of Five, Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)- 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 Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-?
The CAS number of Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)- is 302-95-4.
What is the molecular formula of Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-?
The molecular formula of Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)- is C24H39NaO4.
What is the molecular weight of Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-?
The molecular weight of Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)- is 414.27 g/mol.
Where can I buy Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-?
You can request a quote for Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.