![methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate structure](/static/products/4332/433259-43-9.webp)
methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate
TL;DR: methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate (CAS 433259-43-9) is a chemical compound with molecular formula C17H13ClN2O5 and molecular weight 360.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-methyl 4-(3-(4-chloro-3-nitrophenyl)acrylamido)benzoate, methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate, methyl 4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]benzoate
| Molecular Formula | C17H13ClN2O5 |
|---|---|
| Molecular Weight | 360.05 g/mol |
| LogP | 3.6867 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.0513 |
| Heavy Atoms | 25 |
| Complexity | 846.61676 |
Chemical Identifiers
| CAS Number | 433259-43-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate (CAS 433259-43-9), with molecular formula C17H13ClN2O5 and molecular weight 360.05 g/mol. IUPAC: methyl 4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate
Property Insights of methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate
The XLogP value of 3.6867 indicates that methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]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 methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate?
The CAS number of methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate is 433259-43-9.
What is the molecular formula of methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate?
The molecular formula of methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate is C17H13ClN2O5.
What is the molecular weight of methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate?
The molecular weight of methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate is 360.05 g/mol.
Where can I buy methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate?
You can request a quote for methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}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-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.