![methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate structure](/static/products/6913/691396-75-5.webp)
methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate
TL;DR: methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate (CAS 691396-75-5) is a chemical compound with molecular formula C19H14BrClN2O4 and molecular weight 447.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate
Also Known As: methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate, Methyl 4-((3-((3-bromophenyl)amino)-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)benzoate
| Molecular Formula | C19H14BrClN2O4 |
|---|---|
| Molecular Weight | 447.98 g/mol |
| LogP | 3.667 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.98254 |
| Heavy Atoms | 27 |
| Complexity | 956.43695 |
Chemical Identifiers
| CAS Number | 691396-75-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)Br |
Product Overview
methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate (CAS 691396-75-5), with molecular formula C19H14BrClN2O4 and molecular weight 447.98 g/mol. IUPAC: methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate.
Chemical Property Profile of methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate
Property Insights of methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate
The XLogP value of 3.667 indicates that methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]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 methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate?
The CAS number of methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate is 691396-75-5.
What is the molecular formula of methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate?
The molecular formula of methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate is C19H14BrClN2O4.
What is the molecular weight of methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate?
The molecular weight of methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate is 447.98 g/mol.
Where can I buy methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate?
You can request a quote for methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[3-(3-bromoanilino)-4-chloro-2,5-dioxopyrrol-1-yl]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.