n-(4-Chlorobutyl)benzamide
TL;DR: n-(4-Chlorobutyl)benzamide (CAS 7253-21-6) is a chemical compound with molecular formula C11H14ClNO and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorobutyl)benzamide
Also Known As: n-(4-chlorobutyl)benzamide, 4-Chlor-1-benzamino-butan, 1-benzoylamino-4-chlorobutane, RefChem:361855
| Molecular Formula | C11H14ClNO |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 211.07639 |
| Heavy Atoms | 14 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 7253-21-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCCCCCl |
| InChIKey | FPQQBPBLCRHCSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-(4-Chlorobutyl)benzamide (CAS 7253-21-6), with molecular formula C11H14ClNO and molecular weight 211.08 g/mol. IUPAC: N-(4-chlorobutyl)benzamide.
Chemical Property Profile of n-(4-Chlorobutyl)benzamide
Property Insights of n-(4-Chlorobutyl)benzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-(4-Chlorobutyl)benzamide. With a topological polar surface area (TPSA) of 29.1 Ų, n-(4-Chlorobutyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-(4-Chlorobutyl)benzamide 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 n-(4-Chlorobutyl)benzamide?
The CAS number of n-(4-Chlorobutyl)benzamide is 7253-21-6.
What is the molecular formula of n-(4-Chlorobutyl)benzamide?
The molecular formula of n-(4-Chlorobutyl)benzamide is C11H14ClNO.
What is the molecular weight of n-(4-Chlorobutyl)benzamide?
The molecular weight of n-(4-Chlorobutyl)benzamide is 211.08 g/mol.
Where can I buy n-(4-Chlorobutyl)benzamide?
You can request a quote for n-(4-Chlorobutyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-(4-Chlorobutyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for n-(4-Chlorobutyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.