3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one
TL;DR: 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one (CAS 478064-04-9) 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-(4-chlorophenyl)cyclohex-2-en-1-one
Also Known As: 3-amino-5-(4-chlorophenyl)cyclohex-2-en-1-one, Bionet2_000388, 3-Amino-5-(4-chloro-phenyl)-cyclohex-2-enone, 3-amino-5-(4-chlorophenyl)-2-cyclohexen-1-one, 5-Amino-4'-chloro-1,6-dihydro-[1,1'-biphenyl]-3(2H)-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 | 408.13522 |
Chemical Identifiers
| CAS Number | 478064-04-9 |
|---|---|
| SMILES | C1C(CC(=O)C=C1N)C2=CC=C(C=C2)Cl |
Product Overview
3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one (CAS 478064-04-9), with molecular formula C12H12ClNO and molecular weight 221.06 g/mol. IUPAC: 3-amino-5-(4-chlorophenyl)cyclohex-2-en-1-one.
Chemical Property Profile of 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one
Property Insights of 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one
The XLogP value of 2.6291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one. With a topological polar surface area (TPSA) of 43.09 Ų, 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-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 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one?
The CAS number of 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one is 478064-04-9.
What is the molecular formula of 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one?
The molecular formula of 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one is C12H12ClNO.
What is the molecular weight of 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one?
The molecular weight of 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one is 221.06 g/mol.
Where can I buy 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one?
You can request a quote for 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-5-(4-chlorophenyl)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.