3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one
TL;DR: 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one (CAS 333325-97-6) is a chemical compound with molecular formula C18H16ClNO and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one
Also Known As: 3-anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one, 3-anilino-5-(3-chlorophenyl)-2-cyclohexen-1-one, BAS 02232296, AJ-292/14922064, 5-(3-Chloro-phenyl)-3-phenylamino-cyclohex-2-enone
| Molecular Formula | C18H16ClNO |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 4.7825 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.09204 |
| Heavy Atoms | 21 |
| Complexity | 678.6275 |
Chemical Identifiers
| CAS Number | 333325-97-6 |
|---|---|
| SMILES | C1C(CC(=O)C=C1NC2=CC=CC=C2)C3=CC(=CC=C3)Cl |
Product Overview
3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one (CAS 333325-97-6), with molecular formula C18H16ClNO and molecular weight 297.09 g/mol. IUPAC: 3-anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one.
Chemical Property Profile of 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one
Property Insights of 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one
The XLogP value of 4.7825 indicates that 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Anilino-5-(3-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-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one?
The CAS number of 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one is 333325-97-6.
What is the molecular formula of 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one?
The molecular formula of 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one is C18H16ClNO.
What is the molecular weight of 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one?
The molecular weight of 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one is 297.09 g/mol.
Where can I buy 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one?
You can request a quote for 3-Anilino-5-(3-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-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Anilino-5-(3-chlorophenyl)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.