![Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]- structure](/static/products/1016/10161-89-4.webp)
Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]-
TL;DR: Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]- (CAS 10161-89-4) 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.
4-[[4-(4-chloro-3-oxobut-1-enyl)anilino]methyl]benzoic acid
Also Known As: 4-[[4-(4-chloro-3-oxobut-1-enyl)anilino]methyl]benzoic acid, 4-[[4-[(Z)-4-chloro-3-oxobut-1-enyl]anilino]methyl]benzoic a, 4-({[4-(4-chloro-3-oxobut-1-en-1-yl)phenyl]amino}methyl)benzoic acid, Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]-
| Molecular Formula | C18H16ClNO3 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.08188 |
| Heavy Atoms | 23 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 10161-89-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=CC=C(C=C2)C=CC(=O)CCl)C(=O)O |
| InChIKey | JAIZIARYAVWOAL-UHFFFAOYSA-N |
Product Overview
Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]- (CAS 10161-89-4), with molecular formula C18H16ClNO3 and molecular weight 329.08 g/mol. IUPAC: 4-[[4-(4-chloro-3-oxobut-1-enyl)anilino]methyl]benzoic acid.
Chemical Property Profile of Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]-
Property Insights of Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]-
The XLogP value of 3.7 indicates that Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]-. Following Lipinski's Rule of Five, Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]- has 2 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 Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]-?
The CAS number of Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]- is 10161-89-4.
What is the molecular formula of Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]-?
The molecular formula of Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]- is C18H16ClNO3.
What is the molecular weight of Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]-?
The molecular weight of Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]- is 329.08 g/mol.
Where can I buy Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]-?
You can request a quote for Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid,4-[[[4-(4-chloro-3-oxo-1-buten-1-yl)phenyl]amino]methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.