Hydroxybisnorcholenic acid
TL;DR: Hydroxybisnorcholenic acid (CAS 566-77-8) is a chemical compound with molecular formula C22H34O3 and molecular weight 346.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
Also Known As: Hydroxybisnorcholenic acid, 5-amino-9-diethylamino-benzo[a]phenoxazinylium, 2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
| Molecular Formula | C22H34O3 |
|---|---|
| Molecular Weight | 346.25 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.2508 |
| Heavy Atoms | 25 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 566-77-8 |
|---|---|
| SMILES | CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(=O)O |
| InChIKey | NPBNRBWMDNZEBN-UHFFFAOYSA-N |
Product Overview
Hydroxybisnorcholenic acid (CAS 566-77-8), with molecular formula C22H34O3 and molecular weight 346.25 g/mol. IUPAC: 2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid.
Chemical Property Profile of Hydroxybisnorcholenic acid
Property Insights of Hydroxybisnorcholenic acid
The XLogP value of 5.0 indicates that Hydroxybisnorcholenic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Hydroxybisnorcholenic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydroxybisnorcholenic acid has 2 hydrogen bond donor(s) and 3 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 Hydroxybisnorcholenic acid?
The CAS number of Hydroxybisnorcholenic acid is 566-77-8.
What is the molecular formula of Hydroxybisnorcholenic acid?
The molecular formula of Hydroxybisnorcholenic acid is C22H34O3.
What is the molecular weight of Hydroxybisnorcholenic acid?
The molecular weight of Hydroxybisnorcholenic acid is 346.25 g/mol.
Where can I buy Hydroxybisnorcholenic acid?
You can request a quote for Hydroxybisnorcholenic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxybisnorcholenic acid?
Yes, KEHONG BIO provides custom synthesis services for Hydroxybisnorcholenic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.