![ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/6345/634593-47-8.webp)
ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 634593-47-8) is a chemical compound with molecular formula C19H23NO3S and molecular weight 345.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-hydroxy-4-methylphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(2-hydroxy-4-methylbenzyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(2-hydroxy-4-methylphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H23NO3S |
|---|---|
| Molecular Weight | 345.14 g/mol |
| LogP | 4.42972 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.13986 |
| Heavy Atoms | 24 |
| Complexity | 751.3104 |
Chemical Identifiers
| CAS Number | 634593-47-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NCC3=C(C=C(C=C3)C)O |
Product Overview
ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 634593-47-8), with molecular formula C19H23NO3S and molecular weight 345.14 g/mol. IUPAC: ethyl 2-[(2-hydroxy-4-methylphenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.42972 indicates that ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 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 ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 634593-47-8.
What is the molecular formula of ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C19H23NO3S.
What is the molecular weight of ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 345.14 g/mol.
Where can I buy ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-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 ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((2-hydroxy-4-methylbenzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.