![(E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid structure](/static/products/1122/112282-18-5.webp)
(E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
TL;DR: (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid (CAS 112282-18-5) is a chemical compound with molecular formula C20H21NO5S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, AE-848/11419160, F0307-0516, 2-[(2E)-3-(3,4-DIMETHOXYPHENYL)PROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID, 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
| Molecular Formula | C20H21NO5S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 3.9942 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.11404 |
| Heavy Atoms | 27 |
| Complexity | 900.0173 |
Chemical Identifiers
| CAS Number | 112282-18-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O)OC |
Product Overview
(E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid (CAS 112282-18-5), with molecular formula C20H21NO5S and molecular weight 387.11 g/mol. IUPAC: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.
Chemical Property Profile of (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
Property Insights of (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
The XLogP value of 3.9942 indicates that (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid. Following Lipinski's Rule of Five, (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid has 2 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 (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid?
The CAS number of (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid is 112282-18-5.
What is the molecular formula of (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid?
The molecular formula of (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid is C20H21NO5S.
What is the molecular weight of (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid?
The molecular weight of (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid is 387.11 g/mol.
Where can I buy (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid?
You can request a quote for (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-(3,4-dimethoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.