![methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate structure](/static/products/588/588693-25-8.png)
methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
TL;DR: methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate (CAS 588693-25-8) is a chemical compound with molecular formula C15H9ClFNO3S2 and molecular weight 368.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
Also Known As: methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate, Methyl 2-[(3-chloro-4-fluoro-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate, methyl 2-[(3-chloro-4-fluorobenzo[b]thiophen-2-yl)carbonylamino]thiophene-3-ca rboxylate, methyl 2-{[(3-chloro-4-fluoro-1-benzothiophen-2-yl)carbonyl]amino}thiophene-3-carboxylate, 3-Thiophenecarboxylic acid, 2-[[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]amino]-, methyl ester (9CI)
| Molecular Formula | C15H9ClFNO3S2 |
|---|---|
| Molecular Weight | 368.97 g/mol |
| LogP | 4.7942 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.96964 |
| Heavy Atoms | 23 |
| Complexity | 918.72784 |
Chemical Identifiers
| CAS Number | 588693-25-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1)NC(=O)C2=C(C3=C(C=CC=C3S2)F)Cl |
Product Overview
methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate (CAS 588693-25-8), with molecular formula C15H9ClFNO3S2 and molecular weight 368.97 g/mol. IUPAC: methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
Property Insights of methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
The XLogP value of 4.7942 indicates that methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-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 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-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 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
The CAS number of methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate is 588693-25-8.
What is the molecular formula of methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
The molecular formula of methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate is C15H9ClFNO3S2.
What is the molecular weight of methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
The molecular weight of methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate is 368.97 g/mol.
Where can I buy methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
You can request a quote for methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]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 methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.