N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide
TL;DR: N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide (CAS 438466-97-8) is a chemical compound with molecular formula C18H12N4O4S and molecular weight 380.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
Also Known As: N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide, 5-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide, (5-methyl-3-phenylisoxazol-4-yl)-N-(6-nitrobenzothiazol-2-yl)carboxamide
| Molecular Formula | C18H12N4O4S |
|---|---|
| Molecular Weight | 380.06 g/mol |
| LogP | 4.42022 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.05792 |
| Heavy Atoms | 27 |
| Complexity | 1166.7998 |
Chemical Identifiers
| CAS Number | 438466-97-8 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide (CAS 438466-97-8), with molecular formula C18H12N4O4S and molecular weight 380.06 g/mol. IUPAC: 5-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide
Property Insights of N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide
The XLogP value of 4.42022 indicates that N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide. Following Lipinski's Rule of Five, N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide has 1 hydrogen bond donor(s) and 7 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-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide?
The CAS number of N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide is 438466-97-8.
What is the molecular formula of N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide?
The molecular formula of N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide is C18H12N4O4S.
What is the molecular weight of N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide?
The molecular weight of N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide is 380.06 g/mol.
Where can I buy N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide?
You can request a quote for N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{6-nitro-1,3-benzothiazol-2-yl}-5-methyl-3-phenyl-4-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.