methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 691377-97-6) is a chemical compound with molecular formula C18H19NO4S and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-hydroxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AB00682479-01, methyl 2-[(4-hydroxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(4-hydroxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
| Molecular Formula | C18H19NO4S |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 3.6174 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1035 |
| Heavy Atoms | 24 |
| Complexity | 779.0616 |
Chemical Identifiers
| CAS Number | 691377-97-6 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(C=C3)O |
Product Overview
methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 691377-97-6), with molecular formula C18H19NO4S and molecular weight 345.10 g/mol. IUPAC: methyl 2-[(4-hydroxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.6174 indicates that methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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 methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 691377-97-6.
What is the molecular formula of methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C18H19NO4S.
What is the molecular weight of methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 345.10 g/mol.
Where can I buy methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-hydroxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.