![ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate structure](/static/products/1164/1164501-30-7.webp)
ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
TL;DR: ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate (CAS 1164501-30-7) is a chemical compound with molecular formula C20H16ClN3O5S3 and molecular weight 508.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
Also Known As: ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate, 2-[2-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester, ethyl 2-[(2Z)-2-[(3-chloro-1-benzothiophene-2-carbonyl)imino]-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-3-yl]acetate, (Z)-ethyl 2-(2-((3-chlorobenzo[b]thiophene-2-carbonyl)imino)-6-sulfamoylbenzo[d]thiazol-3(2H)-yl)acetate, Ethyl 2-[2-(3-chlorobenzothiophene-2-carbonyl)imino-6-sulfamoyl-benzothiazol-3-yl]acetate
| Molecular Formula | C20H16ClN3O5S3 |
|---|---|
| Molecular Weight | 508.99 g/mol |
| LogP | 3.5225 |
| Topological Polar Surface Area | 120.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.99405 |
| Heavy Atoms | 32 |
| Complexity | 1549.7502 |
Chemical Identifiers
| CAS Number | 1164501-30-7 |
|---|---|
| SMILES | CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate (CAS 1164501-30-7), with molecular formula C20H16ClN3O5S3 and molecular weight 508.99 g/mol. IUPAC: ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate.
Chemical Property Profile of ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
Property Insights of ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate
The XLogP value of 3.5225 indicates that ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.82 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate. Following Lipinski's Rule of Five, ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate?
The CAS number of ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate is 1164501-30-7.
What is the molecular formula of ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate?
The molecular formula of ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate is C20H16ClN3O5S3.
What is the molecular weight of ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate?
The molecular weight of ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate is 508.99 g/mol.
Where can I buy ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate?
You can request a quote for ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[2-(3-chloro-1-benzothiophene-2-carbonyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.