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Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
TL;DR: Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate (CAS 70453-74-6) is a chemical compound with molecular formula C18H14ClNO3S and molecular weight 359.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
Also Known As: BAS 00329560, ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate, ethyl 2-(3-chlorobenzo[b]thiophene-2-carboxamido)benzoate, 2-[(3-Chloro-benzo[b]thiophene-2-carbonyl)-amino]-benzoic acid ethyl ester, ETHYL 2-(3-CHLORO-1-BENZOTHIOPHENE-2-AMIDO)BENZOATE
| Molecular Formula | C18H14ClNO3S |
|---|---|
| Molecular Weight | 359.04 g/mol |
| LogP | 4.9837 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.0383 |
| Heavy Atoms | 24 |
| Complexity | 919.5228 |
Chemical Identifiers
| CAS Number | 70453-74-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate (CAS 70453-74-6), with molecular formula C18H14ClNO3S and molecular weight 359.04 g/mol. IUPAC: ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate.
Chemical Property Profile of Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
Property Insights of Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
The XLogP value of 4.9837 indicates that Ethyl 2-[(3-chloro-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, Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-[(3-chloro-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 Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate?
The CAS number of Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate is 70453-74-6.
What is the molecular formula of Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate?
The molecular formula of Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate is C18H14ClNO3S.
What is the molecular weight of Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate?
The molecular weight of Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate is 359.04 g/mol.
Where can I buy Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate?
You can request a quote for Ethyl 2-[(3-chloro-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 Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.