3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide (CAS 1164495-91-3) is a chemical compound with molecular formula C19H14ClN3O3S3 and molecular weight 462.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide, 3-chloro-N-[(2Z)-3-(prop-2-en-1-yl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-1-benzothiophene-2-carboxamide, (Z)-N-(3-allyl-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)-3-chlorobenzo[b]thiophene-2-carboxamide, 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-benzothiazol-2-ylidene)benzothiophene-2-carboxamide, N-(3-allyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-3-chloro-benzothiophene-2-carboxamide
| Molecular Formula | C19H14ClN3O3S3 |
|---|---|
| Molecular Weight | 462.99 g/mol |
| LogP | 4.1454 |
| Topological Polar Surface Area | 94.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.9886 |
| Heavy Atoms | 29 |
| Complexity | 1462.3965 |
Chemical Identifiers
| CAS Number | 1164495-91-3 |
|---|---|
| SMILES | C=CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide (CAS 1164495-91-3), with molecular formula C19H14ClN3O3S3 and molecular weight 462.99 g/mol. IUPAC: 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
The XLogP value of 4.1454 indicates that 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide 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 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide is 1164495-91-3.
What is the molecular formula of 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide is C19H14ClN3O3S3.
What is the molecular weight of 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide is 462.99 g/mol.
Where can I buy 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(3-prop-2-enyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.