4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
TL;DR: 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 895454-64-5) is a chemical compound with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: F2525-0390, 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide, 4-cyano-N-[(2Z)-5,6-dimethoxy-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, (Z)-4-cyano-N-(5,6-dimethoxy-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)benzamide
| Molecular Formula | C20H15N3O3S |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 2.96598 |
| Topological Polar Surface Area | 76.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.0834 |
| Heavy Atoms | 27 |
| Complexity | 1158.6208 |
Chemical Identifiers
| CAS Number | 895454-64-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)C#N)S2)CC#C)OC |
Product Overview
4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 895454-64-5), with molecular formula C20H15N3O3S and molecular weight 377.08 g/mol. IUPAC: 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
Property Insights of 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
The XLogP value of 2.96598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide. The TPSA of 76.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide. Following Lipinski's Rule of Five, 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide has 0 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 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide?
The CAS number of 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide is 895454-64-5.
What is the molecular formula of 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular formula of 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide is C20H15N3O3S.
What is the molecular weight of 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular weight of 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide is 377.08 g/mol.
Where can I buy 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide?
You can request a quote for 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-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 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.