n-Butyl-2-chloro-n-phenylacetamide
TL;DR: n-Butyl-2-chloro-n-phenylacetamide (CAS 42824-45-3) is a chemical compound with molecular formula C12H16ClNO and molecular weight 225.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-chloro-N-phenylacetamide
Also Known As: n-butyl-2-chloro-n-phenylacetamide, 4-PhC6H4CH2Br, Chloressigsaeure-
| Molecular Formula | C12H16ClNO |
|---|---|
| Molecular Weight | 225.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.09204 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 42824-45-3 |
|---|---|
| SMILES | CCCCN(C1=CC=CC=C1)C(=O)CCl |
| InChIKey | CWNLORRUNMOBMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Butyl-2-chloro-n-phenylacetamide (CAS 42824-45-3), with molecular formula C12H16ClNO and molecular weight 225.09 g/mol. IUPAC: N-butyl-2-chloro-N-phenylacetamide.
Chemical Property Profile of n-Butyl-2-chloro-n-phenylacetamide
Property Insights of n-Butyl-2-chloro-n-phenylacetamide
The XLogP value of 3.2 indicates that n-Butyl-2-chloro-n-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, n-Butyl-2-chloro-n-phenylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Butyl-2-chloro-n-phenylacetamide has 0 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-Butyl-2-chloro-n-phenylacetamide?
The CAS number of n-Butyl-2-chloro-n-phenylacetamide is 42824-45-3.
What is the molecular formula of n-Butyl-2-chloro-n-phenylacetamide?
The molecular formula of n-Butyl-2-chloro-n-phenylacetamide is C12H16ClNO.
What is the molecular weight of n-Butyl-2-chloro-n-phenylacetamide?
The molecular weight of n-Butyl-2-chloro-n-phenylacetamide is 225.09 g/mol.
Where can I buy n-Butyl-2-chloro-n-phenylacetamide?
You can request a quote for n-Butyl-2-chloro-n-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butyl-2-chloro-n-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for n-Butyl-2-chloro-n-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.