N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
TL;DR: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide (CAS 865182-79-2) is a chemical compound with molecular formula C19H14N4O4S and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
Also Known As: F1365-3045, N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide, N-[(2Z)-6-acetamido-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide, (Z)-N-(6-acetamido-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-3-nitrobenzamide
| Molecular Formula | C19H14N4O4S |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 2.9437 |
| Topological Polar Surface Area | 106.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.07358 |
| Heavy Atoms | 28 |
| Complexity | 1216.6321 |
Chemical Identifiers
| CAS Number | 865182-79-2 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])S2)CC#C |
Product Overview
N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide (CAS 865182-79-2), with molecular formula C19H14N4O4S and molecular weight 394.07 g/mol. IUPAC: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide.
Chemical Property Profile of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
Property Insights of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
The XLogP value of 2.9437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide. The TPSA of 106.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide 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 N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide?
The CAS number of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide is 865182-79-2.
What is the molecular formula of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide?
The molecular formula of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide is C19H14N4O4S.
What is the molecular weight of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide?
The molecular weight of N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide is 394.07 g/mol.
Where can I buy N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide?
You can request a quote for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.