Pentazocine glucuronide
TL;DR: Pentazocine glucuronide (CAS 54763-91-6) is a chemical compound with molecular formula C25H35NO7 and molecular weight 461.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[[(1R,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Pentazocine glucuronide, (2S,3S,4S,5R,6S)-6-[[(1R,13S)-1,13-Dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, (6R,11S)-6,11-Dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-yl beta-D-glucopyranosiduronic acid, 6,11-Dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-yl hexopyranosiduronic acid
| Molecular Formula | C25H35NO7 |
|---|---|
| Molecular Weight | 461.24 g/mol |
| LogP | 1.448 |
| Topological Polar Surface Area | 119.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.24136 |
| Heavy Atoms | 33 |
| Complexity | 929.33057 |
Chemical Identifiers
| CAS Number | 54763-91-6 |
|---|---|
| SMILES | C[C@@H]1C2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O |
Product Overview
Pentazocine glucuronide (CAS 54763-91-6), with molecular formula C25H35NO7 and molecular weight 461.24 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[[(1R,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Pentazocine glucuronide
Property Insights of Pentazocine glucuronide
The XLogP value of 1.448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentazocine glucuronide. The TPSA of 119.69 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentazocine glucuronide. Following Lipinski's Rule of Five, Pentazocine glucuronide has 4 hydrogen bond donor(s) and 7 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 Pentazocine glucuronide?
The CAS number of Pentazocine glucuronide is 54763-91-6.
What is the molecular formula of Pentazocine glucuronide?
The molecular formula of Pentazocine glucuronide is C25H35NO7.
What is the molecular weight of Pentazocine glucuronide?
The molecular weight of Pentazocine glucuronide is 461.24 g/mol.
Where can I buy Pentazocine glucuronide?
You can request a quote for Pentazocine glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentazocine glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Pentazocine glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.