SODIUM CHOLATE
TL;DR: SODIUM CHOLATE (CAS 6727-78-2) is a chemical compound with molecular formula C28H50N2O5 and molecular weight 494.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
piperazine;4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Also Known As: SODIUM CHOLATE, Cholic acid sodium salt, Deoxycholic Acid, piperazine, Cholic acid piperazine (1:1), Cholan-24-oic acid sodium salt
| Molecular Formula | C28H50N2O5 |
|---|---|
| Molecular Weight | 494.37 g/mol |
| LogP | 2.6279 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.37198 |
| Heavy Atoms | 35 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 6727-78-2 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.C1CNCCN1 |
| InChIKey | GQCPPZBFHGESNJ-UHFFFAOYSA-N |
Product Overview
SODIUM CHOLATE (CAS 6727-78-2), with molecular formula C28H50N2O5 and molecular weight 494.37 g/mol. IUPAC: piperazine;4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid.
Chemical Property Profile of SODIUM CHOLATE
Property Insights of SODIUM CHOLATE
The XLogP value of 2.6279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SODIUM CHOLATE. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for SODIUM CHOLATE. Following Lipinski's Rule of Five, SODIUM CHOLATE has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SODIUM CHOLATE?
The CAS number of SODIUM CHOLATE is 6727-78-2.
What is the molecular formula of SODIUM CHOLATE?
The molecular formula of SODIUM CHOLATE is C28H50N2O5.
What is the molecular weight of SODIUM CHOLATE?
The molecular weight of SODIUM CHOLATE is 494.37 g/mol.
Where can I buy SODIUM CHOLATE?
You can request a quote for SODIUM CHOLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SODIUM CHOLATE?
Yes, KEHONG BIO provides custom synthesis services for SODIUM CHOLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.