(Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide
TL;DR: (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide (CAS 865181-85-7) is a chemical compound with molecular formula C17H12ClN3O3S2 and molecular weight 405.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide, 4-chloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide, F1365-2909, 4-chloro-N-[(2Z)-3-(prop-2-yn-1-yl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, 4-chloro-N-(3-prop-2-ynyl-6-sulfamoyl-benzothiazol-2-ylidene)benzamide
| Molecular Formula | C17H12ClN3O3S2 |
|---|---|
| Molecular Weight | 405.00 g/mol |
| LogP | 2.3779 |
| Topological Polar Surface Area | 94.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.00085 |
| Heavy Atoms | 26 |
| Complexity | 1216.8569 |
Chemical Identifiers
| CAS Number | 865181-85-7 |
|---|---|
| SMILES | C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
(Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide (CAS 865181-85-7), with molecular formula C17H12ClN3O3S2 and molecular weight 405.00 g/mol. IUPAC: 4-chloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide
Property Insights of (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide
The XLogP value of 2.3779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide. The TPSA of 94.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide. Following Lipinski's Rule of Five, (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide 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 (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide?
The CAS number of (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide is 865181-85-7.
What is the molecular formula of (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide?
The molecular formula of (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide is C17H12ClN3O3S2.
What is the molecular weight of (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide?
The molecular weight of (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide is 405.00 g/mol.
Where can I buy (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide?
You can request a quote for (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-chloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.