去甲去氧胆酸
TL;DR: 去甲去氧胆酸 (CAS 53608-86-9) is a chemical compound with molecular formula C23H38O4 and molecular weight 378.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去甲去氧胆酸
3-(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)butanoic acid
Also Known As: Nordeoxycholic acid, Nor-Desoxycholic Acid, 23-Nordeoxycholic acid, NOR-DEOXYCHOLIC ACID, 3,12-Dihydroxy-nor-cholanic Acid
| Molecular Formula | C23H38O4 |
|---|---|
| Molecular Weight | 378.28 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.277 |
| Heavy Atoms | 27 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 53608-86-9 |
|---|---|
| SMILES | CC(CC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C |
| InChIKey | PLRQOCVIINWCFA-UHFFFAOYSA-N |
Product Overview
去甲去氧胆酸 (CAS 53608-86-9), with molecular formula C23H38O4 and molecular weight 378.28 g/mol. IUPAC: 3-(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)butanoic acid.
Chemical Property Profile of 去甲去氧胆酸
Property Insights of 去甲去氧胆酸
The XLogP value of 4.6 indicates that 去甲去氧胆酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 去甲去氧胆酸. Following Lipinski's Rule of Five, 去甲去氧胆酸 has 3 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 去甲去氧胆酸?
The CAS number of 去甲去氧胆酸 is 53608-86-9.
What is the molecular formula of 去甲去氧胆酸?
The molecular formula of 去甲去氧胆酸 is C23H38O4.
What is the molecular weight of 去甲去氧胆酸?
The molecular weight of 去甲去氧胆酸 is 378.28 g/mol.
Where can I buy 去甲去氧胆酸?
You can request a quote for 去甲去氧胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去甲去氧胆酸?
Yes, KEHONG BIO provides custom synthesis services for 去甲去氧胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.