![methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate structure](/static/products/425/425614-16-0.png)
methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate
TL;DR: methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate (CAS 425614-16-0) is a chemical compound with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-(4-chlorophenyl)-2-(4-methylanilino)-4-oxobut-2-enoate
Also Known As: (E)-methyl 4-(4-chlorophenyl)-4-oxo-2-(p-tolylamino)but-2-enoate, methyl (E)-4-(4-chlorophenyl)-2-(4-methylanilino)-4-oxobut-2-enoate, methyl 4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxo-2-butenoate, methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate
| Molecular Formula | C18H16ClNO3 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 4.00012 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.08188 |
| Heavy Atoms | 23 |
| Complexity | 733.86694 |
Chemical Identifiers
| CAS Number | 425614-16-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/C(=C/C(=O)C2=CC=C(C=C2)Cl)/C(=O)OC |
Product Overview
methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate (CAS 425614-16-0), with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol. IUPAC: methyl (E)-4-(4-chlorophenyl)-2-(4-methylanilino)-4-oxobut-2-enoate.
Chemical Property Profile of methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate
Property Insights of methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate
The XLogP value of 4.00012 indicates that methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate has 1 hydrogen bond donor(s) and 4 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 methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate?
The CAS number of methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate is 425614-16-0.
What is the molecular formula of methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate?
The molecular formula of methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate is C18H16ClNO3.
What is the molecular weight of methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate?
The molecular weight of methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate is 329.08 g/mol.
Where can I buy methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate?
You can request a quote for methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2E)-4-(4-chlorophenyl)-2-[(4-methylphenyl)amino]-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.