(1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate
TL;DR: (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate (CAS 104030-04-8) is a chemical compound with molecular formula C16H13N3O4S and molecular weight 343.06268 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1,3-benzothiazol-2-yl-(2-nitrophenyl)methyl] N-methylcarbamate
Also Known As: 1,2,4-Oxadiazole,3,5-dimethyl, KST-1A9883, 1,3-benzothiazol-2-yl(2-nitrophenyl)methyl methylcarbamate, (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate, [1,3-benzothiazol-2-yl-(2-nitrophenyl)methyl] N-methylcarbamate
Technical Specifications
| Molecular Formula | C16H13N3O4S |
| Molecular Weight | 343.06268 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.06268 Da |
| Heavy Atoms | 24 |
| Complexity | 473.0 |
| SMILES | CNC(=O)OC(C1=CC=CC=C1[N+](=O)[O-])C2=NC3=CC=CC=C3S2 |
| InChIKey | HNKVIQQHMKGPTE-UHFFFAOYSA-N |
Chemical Property Profile of (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate
Property Insights of (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate
The XLogP value of 3.5 indicates that (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate. Following Lipinski's Rule of Five, (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate 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
What is the CAS number of (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate?
The CAS number of (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate is 104030-04-8.
What is the molecular formula of (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate?
The molecular formula of (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate is C16H13N3O4S.
What is the molecular weight of (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate?
The molecular weight of (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate is 343.06268 g/mol.
Where can I buy (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate?
You can request a quote for (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate?
Yes, CoreyChem provides custom synthesis services for (1,3-Benzothiazol-2-yl-(2-nitrophenyl)methyl) N-methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.