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Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate
TL;DR: Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate (CAS 477490-45-2) is a chemical compound with molecular formula C19H17NO3S and molecular weight 339.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3,4-dimethylbenzoyl)amino]-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate, methyl 3-(3,4-dimethylbenzamido)-1-benzothiophene-2-carboxylate, methyl 3-[(3,4-dimethylbenzoyl)amino]-1-benzothiophene-2-carboxylate, F0806-0061
| Molecular Formula | C19H17NO3S |
|---|---|
| Molecular Weight | 339.09 g/mol |
| LogP | 4.55704 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.09293 |
| Heavy Atoms | 24 |
| Complexity | 942.93494 |
Chemical Identifiers
| CAS Number | 477490-45-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=C(SC3=CC=CC=C32)C(=O)OC)C |
Product Overview
Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate (CAS 477490-45-2), with molecular formula C19H17NO3S and molecular weight 339.09 g/mol. IUPAC: methyl 3-[(3,4-dimethylbenzoyl)amino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate
Property Insights of Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate
The XLogP value of 4.55704 indicates that Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-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 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate?
The CAS number of Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate is 477490-45-2.
What is the molecular formula of Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate?
The molecular formula of Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate is C19H17NO3S.
What is the molecular weight of Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate?
The molecular weight of Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate is 339.09 g/mol.
Where can I buy Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate?
You can request a quote for Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3,4-dimethylbenzamido)benzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.