![4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate structure](/static/products/6904/6904-91-2.webp)
4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
TL;DR: 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate (CAS 6904-91-2) is a chemical compound with molecular formula C19H14ClN2O4- and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
Also Known As: 4-[[4-chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate, 4-[[4-chloro-1-(3,4-dimethylphenyl)-2,5-dioxo-pyrrol-3-yl]amino]benzoate, 4-{[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate
| Molecular Formula | C19H14ClN2O4- |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 2.10264 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.0642 |
| Heavy Atoms | 26 |
| Complexity | 964.00446 |
Chemical Identifiers
| CAS Number | 6904-91-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)[O-])C |
Product Overview
4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate (CAS 6904-91-2), with molecular formula C19H14ClN2O4- and molecular weight 369.06 g/mol. IUPAC: 4-[[4-chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate.
Chemical Property Profile of 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
Property Insights of 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
The XLogP value of 2.10264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate. Following Lipinski's Rule of Five, 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate has 1 hydrogen bond donor(s) and 5 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 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The CAS number of 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is 6904-91-2.
What is the molecular formula of 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The molecular formula of 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is C19H14ClN2O4-.
What is the molecular weight of 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
The molecular weight of 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate is 369.06 g/mol.
Where can I buy 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
You can request a quote for 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[4-Chloro-1-(3,4-dimethylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.