Rel-Pentazocine
TL;DR: Rel-Pentazocine (CAS 39188-58-4) is a chemical compound with molecular formula C19H27NO and molecular weight 285.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Also Known As: Rel-Pentazocine, pentazocine, Fortalgesic, Pentazocin, Fortalin
| Molecular Formula | C19H27NO |
|---|---|
| Molecular Weight | 285.21 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.20926 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 39188-58-4 |
|---|---|
| SMILES | C[C@@H]1[C@H]2CC3=C([C@@]1(CCN2CC=C(C)C)C)C=C(C=C3)O |
| InChIKey | VOKSWYLNZZRQPF-NIKGAXFTSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rel-Pentazocine (CAS 39188-58-4), with molecular formula C19H27NO and molecular weight 285.21 g/mol. IUPAC: (1R,9R,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
Chemical Property Profile of Rel-Pentazocine
Property Insights of Rel-Pentazocine
The XLogP value of 3.3 indicates that Rel-Pentazocine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Rel-Pentazocine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rel-Pentazocine has 1 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 Rel-Pentazocine?
The CAS number of Rel-Pentazocine is 39188-58-4.
What is the molecular formula of Rel-Pentazocine?
The molecular formula of Rel-Pentazocine is C19H27NO.
What is the molecular weight of Rel-Pentazocine?
The molecular weight of Rel-Pentazocine is 285.21 g/mol.
Where can I buy Rel-Pentazocine?
You can request a quote for Rel-Pentazocine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rel-Pentazocine?
Yes, KEHONG BIO provides custom synthesis services for Rel-Pentazocine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.