![Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/7257/725745-99-3.webp)
Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 725745-99-3) is a chemical compound with molecular formula C19H19NO3S and molecular weight 341.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00676137, BRD-K95077563-001-01-6, methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F1443-4839, METHYL 2-[(2E)-3-PHENYLPROP-2-ENAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C19H19NO3S |
|---|---|
| Molecular Weight | 341.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.10855 |
| Heavy Atoms | 24 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 725745-99-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C3=CC=CC=C3 |
| InChIKey | ONJSEDIWRNOIFQ-VAWYXSNFSA-N |
Product Overview
Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 725745-99-3), with molecular formula C19H19NO3S and molecular weight 341.11 g/mol. IUPAC: methyl 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.8 indicates that Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 725745-99-3.
What is the molecular formula of Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C19H19NO3S.
What is the molecular weight of Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 341.11 g/mol.
Where can I buy Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cinnamamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.