![Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate structure](/static/products/444/444080-99-3.png)
Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate
TL;DR: Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate (CAS 444080-99-3) is a chemical compound with molecular formula C19H16ClNO4S and molecular weight 389.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
Also Known As: ethyl 4-{[(3-chloro-6-methoxy-1-benzothien-2-yl)carbonyl]amino}benzoate, ethyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate, ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate, ethyl 4-{[(3-chloro-6-methoxy-1-benzothiophen-2-yl)carbonyl]amino}benzoate
| Molecular Formula | C19H16ClNO4S |
|---|---|
| Molecular Weight | 389.05 g/mol |
| LogP | 4.9923 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.04886 |
| Heavy Atoms | 26 |
| Complexity | 965.5796 |
Chemical Identifiers
| CAS Number | 444080-99-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl |
Product Overview
Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate (CAS 444080-99-3), with molecular formula C19H16ClNO4S and molecular weight 389.05 g/mol. IUPAC: ethyl 4-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate
Property Insights of Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate
The XLogP value of 4.9923 indicates that Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate 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 Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate?
The CAS number of Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate is 444080-99-3.
What is the molecular formula of Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate?
The molecular formula of Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate is C19H16ClNO4S.
What is the molecular weight of Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate?
The molecular weight of Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate is 389.05 g/mol.
Where can I buy Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate?
You can request a quote for Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(3-chloro-6-methoxybenzo[b]thiophen-2-yl)carbonylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.