3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
TL;DR: 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 865182-11-2) is a chemical compound with molecular formula C19H17N3O5S2 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: F1365-2942, 3,4-dimethoxy-N-[(2Z)-3-(prop-2-yn-1-yl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, (Z)-3,4-dimethoxy-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide, 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide, 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-benzothiazol-2-ylidene)benzamide
| Molecular Formula | C19H17N3O5S2 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 1.7417 |
| Topological Polar Surface Area | 112.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.06097 |
| Heavy Atoms | 29 |
| Complexity | 1313.8436 |
Chemical Identifiers
| CAS Number | 865182-11-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C)OC |
Product Overview
3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 865182-11-2), with molecular formula C19H17N3O5S2 and molecular weight 431.06 g/mol. IUPAC: 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
Property Insights of 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
The XLogP value of 1.7417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide. The TPSA of 112.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide. Following Lipinski's Rule of Five, 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide has 1 hydrogen bond donor(s) and 6 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 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide?
The CAS number of 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide is 865182-11-2.
What is the molecular formula of 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular formula of 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide is C19H17N3O5S2.
What is the molecular weight of 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular weight of 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide is 431.06 g/mol.
Where can I buy 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide?
You can request a quote for 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.