N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
TL;DR: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide (CAS 868674-50-4) is a chemical compound with molecular formula C19H15N3O3S and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
Also Known As: F1816-1005, N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide, (Z)-N-(5,7-dimethyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-2-nitrobenzamide, N-[(2Z)-5,7-dimethyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide
| Molecular Formula | C19H15N3O3S |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 3.60214 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.0834 |
| Heavy Atoms | 26 |
| Complexity | 1149.0262 |
Chemical Identifiers
| CAS Number | 868674-50-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3[N+](=O)[O-])S2)CC#C)C |
Product Overview
N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide (CAS 868674-50-4), with molecular formula C19H15N3O3S and molecular weight 365.08 g/mol. IUPAC: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide.
Chemical Property Profile of N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
Property Insights of N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
The XLogP value of 3.60214 indicates that N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide has 0 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 N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide?
The CAS number of N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide is 868674-50-4.
What is the molecular formula of N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide?
The molecular formula of N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide is C19H15N3O3S.
What is the molecular weight of N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide?
The molecular weight of N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide is 365.08 g/mol.
Where can I buy N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide?
You can request a quote for N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.