Pentanochlor
TL;DR: Pentanochlor (CAS 2307-68-8) is a chemical compound with molecular formula C13H18ClNO and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-methylpentanamide
Also Known As: Pentanochlor, Dakuron, Solane, Chlorpentan, Pentachlore
| Molecular Formula | C13H18ClNO |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.1077 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 2307-68-8 |
|---|---|
| SMILES | CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl |
| InChIKey | WGVWLKXZBUVUAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanochlor (CAS 2307-68-8), with molecular formula C13H18ClNO and molecular weight 239.11 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-methylpentanamide.
Chemical Property Profile of Pentanochlor
Property Insights of Pentanochlor
The XLogP value of 4.3 indicates that Pentanochlor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, Pentanochlor exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanochlor has 1 hydrogen bond donor(s) and 1 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 Pentanochlor?
The CAS number of Pentanochlor is 2307-68-8.
What is the molecular formula of Pentanochlor?
The molecular formula of Pentanochlor is C13H18ClNO.
What is the molecular weight of Pentanochlor?
The molecular weight of Pentanochlor is 239.11 g/mol.
Where can I buy Pentanochlor?
You can request a quote for Pentanochlor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanochlor?
Yes, KEHONG BIO provides custom synthesis services for Pentanochlor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.