1-Amino-5-(2-chlorophenyl)cyclohexen-3-one
TL;DR: 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one (CAS 239131-11-4) is a chemical compound with molecular formula C12H12ClNO and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-5-(2-chlorophenyl)cyclohex-2-en-1-one
Also Known As: 1-amino-5-(2-chlorophenyl)cyclohexen-3-one, 2-Cyclohexen-1-one, 3-amino-5-(2-chlorophenyl)-, 3-amino-5-(2-chlorophenyl)cyclohex-2-en-1-one
| Molecular Formula | C12H12ClNO |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 2.6291 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.06075 |
| Heavy Atoms | 15 |
| Complexity | 425.38522 |
Chemical Identifiers
| CAS Number | 239131-11-4 |
|---|---|
| SMILES | C1C(CC(=O)C=C1N)C2=CC=CC=C2Cl |
Product Overview
1-Amino-5-(2-chlorophenyl)cyclohexen-3-one (CAS 239131-11-4), with molecular formula C12H12ClNO and molecular weight 221.06 g/mol. IUPAC: 3-amino-5-(2-chlorophenyl)cyclohex-2-en-1-one.
Chemical Property Profile of 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one
Property Insights of 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one
The XLogP value of 2.6291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one. With a topological polar surface area (TPSA) of 43.09 Ų, 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one 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-Amino-5-(2-chlorophenyl)cyclohexen-3-one?
The CAS number of 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one is 239131-11-4.
What is the molecular formula of 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one?
The molecular formula of 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one is C12H12ClNO.
What is the molecular weight of 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one?
The molecular weight of 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one is 221.06 g/mol.
Where can I buy 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one?
You can request a quote for 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-5-(2-chlorophenyl)cyclohexen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.