Pentazocine Hydrochloride
TL;DR: Pentazocine Hydrochloride (CAS 2276-52-0) is a chemical compound with molecular formula C19H28ClNO and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
Also Known As: Pentazocine HCl, Pentazocine hydrochloride, Talwin 50, Talacen, Fortral
| Molecular Formula | C19H28ClNO |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | 4.3044 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.18594 |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 2276-52-0 |
|---|---|
| SMILES | C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl |
| InChIKey | OQGYMIIFOSJQSF-DTOXXUQYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentazocine Hydrochloride (CAS 2276-52-0), with molecular formula C19H28ClNO and molecular weight 321.19 g/mol. IUPAC: (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride.
Chemical Property Profile of Pentazocine Hydrochloride
Property Insights of Pentazocine Hydrochloride
The XLogP value of 4.3044 indicates that Pentazocine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Pentazocine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentazocine Hydrochloride has 2 hydrogen bond donor(s) and 2 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 Hydrochloride?
The CAS number of Pentazocine Hydrochloride is 2276-52-0.
What is the molecular formula of Pentazocine Hydrochloride?
The molecular formula of Pentazocine Hydrochloride is C19H28ClNO.
What is the molecular weight of Pentazocine Hydrochloride?
The molecular weight of Pentazocine Hydrochloride is 321.19 g/mol.
Where can I buy Pentazocine Hydrochloride?
You can request a quote for Pentazocine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentazocine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pentazocine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.