(E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate
TL;DR: (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate (CAS 840463-48-1) is a chemical compound with molecular formula C29H30N2O6 and molecular weight 502.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-3-(3,4-diethoxyphenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoyl]amino]benzoate
Also Known As: (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate, Methyl 4-[[3-(3,4-diethoxyphenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoyl]amino]benzoate, methyl 4-[[(E)-3-(3,4-diethoxyphenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoyl]amino]benzoate, methyl 4-{[(2E)-3-(3,4-diethoxyphenyl)-2-{[(2-methylphenyl)carbonyl]amino}prop-2-enoyl]amino}benzoate
| Molecular Formula | C29H30N2O6 |
|---|---|
| Molecular Weight | 502.21 g/mol |
| LogP | 4.98862 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.2104 |
| Heavy Atoms | 37 |
| Complexity | 1298.0039 |
Chemical Identifiers
| CAS Number | 840463-48-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=C(\C(=O)NC2=CC=C(C=C2)C(=O)OC)/NC(=O)C3=CC=CC=C3C)OCC |
Product Overview
(E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate (CAS 840463-48-1), with molecular formula C29H30N2O6 and molecular weight 502.21 g/mol. IUPAC: methyl 4-[[(E)-3-(3,4-diethoxyphenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate
Property Insights of (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate
The XLogP value of 4.98862 indicates that (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate?
The CAS number of (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate is 840463-48-1.
What is the molecular formula of (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate?
The molecular formula of (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate is C29H30N2O6.
What is the molecular weight of (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate?
The molecular weight of (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate is 502.21 g/mol.
Where can I buy (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate?
You can request a quote for (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(3-(3,4-diethoxyphenyl)-2-(2-methylbenzamido)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.