(E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate
TL;DR: (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate (CAS 868153-97-3) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethoxy-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
Also Known As: (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate, F1736-0632, methyl 4,5-dimethoxy-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate, METHYL 4,5-DIMETHOXY-2-[(2E)-3-(THIOPHEN-2-YL)PROP-2-ENAMIDO]BENZOATE, methyl 2-((2E)-3-(2-thienyl)prop-2-enoylamino)-4,5-dimethoxybenzoate
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 3.2038 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 752.59143 |
Chemical Identifiers
| CAS Number | 868153-97-3 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)/C=C/C2=CC=CS2)OC |
Product Overview
(E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate (CAS 868153-97-3), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: methyl 4,5-dimethoxy-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate
Property Insights of (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate
The XLogP value of 3.2038 indicates that (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)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 (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate?
The CAS number of (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate is 868153-97-3.
What is the molecular formula of (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate?
The molecular formula of (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate is C17H17NO5S.
What is the molecular weight of (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate?
The molecular weight of (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate is 347.08 g/mol.
Where can I buy (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate?
You can request a quote for (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)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 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4,5-dimethoxy-2-(3-(thiophen-2-yl)acrylamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.