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Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate
TL;DR: Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate (CAS 1164483-86-6) is a chemical compound with molecular formula C20H21NO6 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-methyl 2-(3-(3,4,5-trimethoxyphenyl)acrylamido)benzoate, methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate, methyl 2-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoylamino]benzoate, methyl 2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoate, methyl 2-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino}benzoate
| Molecular Formula | C20H21NO6 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 3.1509 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.1369 |
| Heavy Atoms | 27 |
| Complexity | 834.2956 |
Chemical Identifiers
| CAS Number | 1164483-86-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NC2=CC=CC=C2C(=O)OC |
Product Overview
Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate (CAS 1164483-86-6), with molecular formula C20H21NO6 and molecular weight 371.14 g/mol. IUPAC: methyl 2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate
Property Insights of Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate
The XLogP value of 3.1509 indicates that Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate has 1 hydrogen bond donor(s) and 6 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 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate?
The CAS number of Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate is 1164483-86-6.
What is the molecular formula of Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate?
The molecular formula of Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate is C20H21NO6.
What is the molecular weight of Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate?
The molecular weight of Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate is 371.14 g/mol.
Where can I buy Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate?
You can request a quote for Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]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 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[3-(3,4,5-trimethoxyphenyl)acryloyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.