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Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate
TL;DR: Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate (CAS 397288-57-2) is a chemical compound with molecular formula C24H17NO4S and molecular weight 415.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-benzoylbenzoyl)amino]-1-benzothiophene-2-carboxylate
Also Known As: AB00685244-01, methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate, AE-641/41201883, methyl 3-[(4-benzoylbenzoyl)amino]-1-benzothiophene-2-carboxylate, METHYL 3-(4-BENZOYLBENZAMIDO)-1-BENZOTHIOPHENE-2-CARBOXYLATE
| Molecular Formula | C24H17NO4S |
|---|---|
| Molecular Weight | 415.09 g/mol |
| LogP | 5.1712 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.08783 |
| Heavy Atoms | 30 |
| Complexity | 1243.4473 |
Chemical Identifiers
| CAS Number | 397288-57-2 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)C(=O)C4=CC=CC=C4 |
Product Overview
Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate (CAS 397288-57-2), with molecular formula C24H17NO4S and molecular weight 415.09 g/mol. IUPAC: methyl 3-[(4-benzoylbenzoyl)amino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate
Property Insights of Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate
The XLogP value of 5.1712 indicates that Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate?
The CAS number of Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate is 397288-57-2.
What is the molecular formula of Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate?
The molecular formula of Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate is C24H17NO4S.
What is the molecular weight of Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate?
The molecular weight of Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate is 415.09 g/mol.
Where can I buy Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate?
You can request a quote for Methyl 3-(4-benzoylbenzamido)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-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-benzoylbenzamido)benzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.