5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone
TL;DR: 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone (CAS 332861-70-8) is a chemical compound with molecular formula C19H18ClNO and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-3-(4-methylanilino)cyclohex-2-en-1-one
Also Known As: TimTec1_006418, BAS 01849638, 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone, 5-(4-chlorophenyl)-3-(4-methylanilino)cyclohex-2-en-1-one, 5-(4-chlorophenyl)-3-(4-toluidino)-2-cyclohexen-1-one
| Molecular Formula | C19H18ClNO |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 5.09092 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.1077 |
| Heavy Atoms | 22 |
| Complexity | 701.22 |
Chemical Identifiers
| CAS Number | 332861-70-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=CC(=O)CC(C2)C3=CC=C(C=C3)Cl |
Product Overview
5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone (CAS 332861-70-8), with molecular formula C19H18ClNO and molecular weight 311.11 g/mol. IUPAC: 5-(4-chlorophenyl)-3-(4-methylanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone
Property Insights of 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone
The XLogP value of 5.09092 indicates that 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone?
The CAS number of 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone is 332861-70-8.
What is the molecular formula of 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone?
The molecular formula of 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone is C19H18ClNO.
What is the molecular weight of 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone?
The molecular weight of 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone is 311.11 g/mol.
Where can I buy 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone?
You can request a quote for 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chloro-phenyl)-3-p-tolylamino-cyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.