2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione
TL;DR: 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione (CAS 79782-29-9) is a chemical compound with molecular formula C22H16ClNO2 and molecular weight 361.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione
Also Known As: 2-(4-chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione, 2-Butene-1,4-dione, 2-[(4-chlorophenyl)amino]-1,4-diphenyl-, 2-Butene-1,4-dione, 2-[(4-chlorophenyl)amino]-1,4-diphenyl-, (Z)-
| Molecular Formula | C22H16ClNO2 |
|---|---|
| Molecular Weight | 361.09 g/mol |
| LogP | 5.4016 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.08694 |
| Heavy Atoms | 26 |
| Complexity | 932.8959 |
Chemical Identifiers
| CAS Number | 79782-29-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=C(C(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)Cl |
Product Overview
2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione (CAS 79782-29-9), with molecular formula C22H16ClNO2 and molecular weight 361.09 g/mol. IUPAC: 2-(4-chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione.
Chemical Property Profile of 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione
Property Insights of 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione
The XLogP value of 5.4016 indicates that 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione?
The CAS number of 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione is 79782-29-9.
What is the molecular formula of 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione?
The molecular formula of 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione is C22H16ClNO2.
What is the molecular weight of 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione?
The molecular weight of 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione is 361.09 g/mol.
Where can I buy 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione?
You can request a quote for 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloroanilino)-1,4-diphenylbut-2-ene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.