![Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate structure](/static/products/3545/354537-93-2.webp)
Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
TL;DR: Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate (CAS 354537-93-2) is a chemical compound with molecular formula C17H11ClFNO3S and molecular weight 363.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
Also Known As: methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate, methyl 3-{[(3-chloro-6-fluoro-1-benzothiophen-2-yl)carbonyl]amino}benzoate, METHYL 3-(3-CHLORO-6-FLUORO-1-BENZOTHIOPHENE-2-AMIDO)BENZOATE, methyl 3-[(3-chloro-6-fluorobenzo[b]thiophen-2-yl)carbonylamino]benzoate, methyl 3-{[(3-chloro-6-fluoro-1-benzothien-2-yl)carbonyl]amino}benzoate
| Molecular Formula | C17H11ClFNO3S |
|---|---|
| Molecular Weight | 363.01 g/mol |
| LogP | 4.7327 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.0132 |
| Heavy Atoms | 24 |
| Complexity | 954.1587 |
Chemical Identifiers
| CAS Number | 354537-93-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl |
Product Overview
Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate (CAS 354537-93-2), with molecular formula C17H11ClFNO3S and molecular weight 363.01 g/mol. IUPAC: methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
Property Insights of Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate
The XLogP value of 4.7327 indicates that Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate 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-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate 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-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate?
The CAS number of Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate is 354537-93-2.
What is the molecular formula of Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate?
The molecular formula of Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate is C17H11ClFNO3S.
What is the molecular weight of Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate?
The molecular weight of Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate is 363.01 g/mol.
Where can I buy Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate?
You can request a quote for Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate 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-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.