Glcnac-udca
TL;DR: Glcnac-udca (CAS 122908-04-7) is a chemical compound with molecular formula C32H53NO9 and molecular weight 595.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-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: Glcnac-udca, Udca-naga, Ursodeoxycholic acid N-acetylglucosaminide, (4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-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, Cholan-24-oic acid, 3-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)-7-hydroxy-, (3alpha,5beta,7beta)-
| Molecular Formula | C32H53NO9 |
|---|---|
| Molecular Weight | 595.37 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 595.372 |
| Heavy Atoms | 42 |
| Complexity | 995.0 |
Chemical Identifiers
| CAS Number | 122908-04-7 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)C)O)C |
| InChIKey | JKXNUFCMIRPBML-ISPNGHFPSA-N |
Product Overview
Glcnac-udca (CAS 122908-04-7), with molecular formula C32H53NO9 and molecular weight 595.37 g/mol. IUPAC: (4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-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 Glcnac-udca
Property Insights of Glcnac-udca
The XLogP value of 3.3 indicates that Glcnac-udca is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting Glcnac-udca may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glcnac-udca has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glcnac-udca?
The CAS number of Glcnac-udca is 122908-04-7.
What is the molecular formula of Glcnac-udca?
The molecular formula of Glcnac-udca is C32H53NO9.
What is the molecular weight of Glcnac-udca?
The molecular weight of Glcnac-udca is 595.37 g/mol.
Where can I buy Glcnac-udca?
You can request a quote for Glcnac-udca directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glcnac-udca?
Yes, KEHONG BIO provides custom synthesis services for Glcnac-udca and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.