![Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate structure](/static/products/6251/6251-27-0.webp)
Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
TL;DR: Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate (CAS 6251-27-0) is a chemical compound with molecular formula C20H18ClNO3S and molecular weight 387.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
Also Known As: BAS 00279176, butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate, butyl 4-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}benzoate, Butyl 4-(3-chloro-1-benzothiophene-2-carboxamido)benzoate, butyl 4-[(3-chlorobenzo[b]thiophen-2-yl)carbonylamino]benzoate
| Molecular Formula | C20H18ClNO3S |
|---|---|
| Molecular Weight | 387.07 g/mol |
| LogP | 5.7639 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.06958 |
| Heavy Atoms | 26 |
| Complexity | 933.8842 |
Chemical Identifiers
| CAS Number | 6251-27-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate (CAS 6251-27-0), with molecular formula C20H18ClNO3S and molecular weight 387.07 g/mol. IUPAC: butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate.
Chemical Property Profile of Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
Property Insights of Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate
The XLogP value of 5.7639 indicates that Butyl 4-[(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, Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate?
The CAS number of Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate is 6251-27-0.
What is the molecular formula of Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate?
The molecular formula of Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate is C20H18ClNO3S.
What is the molecular weight of Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate?
The molecular weight of Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate is 387.07 g/mol.
Where can I buy Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate?
You can request a quote for Butyl 4-[(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 Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.