N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
TL;DR: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide (CAS 313404-27-2) is a chemical compound with molecular formula C15H11N3O4S and molecular weight 329.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
Also Known As: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide, N-(4-methoxy-6-nitrobenzo[d]thiazol-2-yl)benzamide, F0161-0137
| Molecular Formula | C15H11N3O4S |
|---|---|
| Molecular Weight | 329.05 g/mol |
| LogP | 3.4654 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.04703 |
| Heavy Atoms | 23 |
| Complexity | 892.3783 |
Chemical Identifiers
| CAS Number | 313404-27-2 |
|---|---|
| SMILES | COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=CC=C3 |
Product Overview
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide (CAS 313404-27-2), with molecular formula C15H11N3O4S and molecular weight 329.05 g/mol. IUPAC: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
Property Insights of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
The XLogP value of 3.4654 indicates that N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide. Following Lipinski's Rule of Five, N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide 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
Frequently Asked Questions
What is the CAS number of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide?
The CAS number of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide is 313404-27-2.
What is the molecular formula of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide?
The molecular formula of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide is C15H11N3O4S.
What is the molecular weight of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide?
The molecular weight of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide is 329.05 g/mol.
Where can I buy N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide?
You can request a quote for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.