匹那西泮
TL;DR: 匹那西泮 (CAS 52463-83-9) is a chemical compound with molecular formula C18H13ClN2O and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
匹那西泮
7-chloro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one
Also Known As: Pinazepam, Domar, Pinazepamum, Pinazepam [INN], Duna
| Molecular Formula | C18H13ClN2O |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.07166 |
| Heavy Atoms | 22 |
| Complexity | 500.0 |
| Melting Point | 141 °C |
Chemical Identifiers
| CAS Number | 52463-83-9 |
|---|---|
| SMILES | C#CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 |
| InChIKey | MFZOSKPPVCIFMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
匹那西泮 (CAS 52463-83-9), with molecular formula C18H13ClN2O and molecular weight 308.07 g/mol. IUPAC: 7-chloro-5-phenyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 匹那西泮
Property Insights of 匹那西泮
The XLogP value of 3.1 indicates that 匹那西泮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 匹那西泮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 匹那西泮 has 0 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 匹那西泮?
The CAS number of 匹那西泮 is 52463-83-9.
What is the molecular formula of 匹那西泮?
The molecular formula of 匹那西泮 is C18H13ClN2O.
What is the molecular weight of 匹那西泮?
The molecular weight of 匹那西泮 is 308.07 g/mol.
Where can I buy 匹那西泮?
You can request a quote for 匹那西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 匹那西泮?
Yes, KEHONG BIO provides custom synthesis services for 匹那西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.