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Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate
TL;DR: Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate (CAS 477847-52-2) is a chemical compound with molecular formula C15H11NO3S2 and molecular weight 317.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(thiophene-2-carbonylamino)-1-benzothiophene-2-carboxylate
Also Known As: methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate, 10P-522S, methyl 5-(thiophene-2-amido)-1-benzothiophene-2-carboxylate, methyl 5-(thiophene-2-carbonylamino)-1-benzothiophene-2-carboxylate, methyl5-(thiophene-2-amido)-1-benzothiophene-2-carboxylate
| Molecular Formula | C15H11NO3S2 |
|---|---|
| Molecular Weight | 317.02 g/mol |
| LogP | 4.0017 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.01804 |
| Heavy Atoms | 21 |
| Complexity | 805.55786 |
Chemical Identifiers
| CAS Number | 477847-52-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC=CS3 |
Product Overview
Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate (CAS 477847-52-2), with molecular formula C15H11NO3S2 and molecular weight 317.02 g/mol. IUPAC: methyl 5-(thiophene-2-carbonylamino)-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate
Property Insights of Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate
The XLogP value of 4.0017 indicates that Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-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 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate has 1 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 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate?
The CAS number of Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate is 477847-52-2.
What is the molecular formula of Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate?
The molecular formula of Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate is C15H11NO3S2.
What is the molecular weight of Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate?
The molecular weight of Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate is 317.02 g/mol.
Where can I buy Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate?
You can request a quote for Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-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 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-[(2-thienylcarbonyl)amino]-1-benzothiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.