1-Butanone, 1-(2-amino-3-chlorophenyl)-
TL;DR: 1-Butanone, 1-(2-amino-3-chlorophenyl)- (CAS 94016-03-2) is a chemical compound with molecular formula C10H12ClNO and molecular weight 197.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-amino-3-chlorophenyl)butan-1-one
Also Known As: 2-Chloro-6-butanoylaniline, 1-Butanone, 1-(2-amino-3-chlorophenyl)-, 1-(2-amino-3-chlorophenyl)butan-1-one, 1-(2-amino-3-chloro-phenyl)butan-1-one
| Molecular Formula | C10H12ClNO |
|---|---|
| Molecular Weight | 197.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.06075 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 94016-03-2 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=CC=C1)Cl)N |
| InChIKey | BAOABTSMIOPCGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanone, 1-(2-amino-3-chlorophenyl)- (CAS 94016-03-2), with molecular formula C10H12ClNO and molecular weight 197.06 g/mol. IUPAC: 1-(2-amino-3-chlorophenyl)butan-1-one.
Chemical Property Profile of 1-Butanone, 1-(2-amino-3-chlorophenyl)-
Property Insights of 1-Butanone, 1-(2-amino-3-chlorophenyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanone, 1-(2-amino-3-chlorophenyl)-. With a topological polar surface area (TPSA) of 43.1 Ų, 1-Butanone, 1-(2-amino-3-chlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 1-(2-amino-3-chlorophenyl)- 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 1-Butanone, 1-(2-amino-3-chlorophenyl)-?
The CAS number of 1-Butanone, 1-(2-amino-3-chlorophenyl)- is 94016-03-2.
What is the molecular formula of 1-Butanone, 1-(2-amino-3-chlorophenyl)-?
The molecular formula of 1-Butanone, 1-(2-amino-3-chlorophenyl)- is C10H12ClNO.
What is the molecular weight of 1-Butanone, 1-(2-amino-3-chlorophenyl)-?
The molecular weight of 1-Butanone, 1-(2-amino-3-chlorophenyl)- is 197.06 g/mol.
Where can I buy 1-Butanone, 1-(2-amino-3-chlorophenyl)-?
You can request a quote for 1-Butanone, 1-(2-amino-3-chlorophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 1-(2-amino-3-chlorophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 1-(2-amino-3-chlorophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.