N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide
TL;DR: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide (CAS 313404-29-4) is a chemical compound with molecular formula C16H13N3O4S and molecular weight 343.06 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)-2-methylbenzamide
Also Known As: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide, F0161-0142, N-(4-methoxy-6-nitrobenzo[d]thiazol-2-yl)-2-methylbenzamide
| Molecular Formula | C16H13N3O4S |
|---|---|
| Molecular Weight | 343.06 g/mol |
| LogP | 3.77382 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.06268 |
| Heavy Atoms | 24 |
| Complexity | 951.64557 |
Chemical Identifiers
| CAS Number | 313404-29-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC |
Product Overview
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide (CAS 313404-29-4), with molecular formula C16H13N3O4S and molecular weight 343.06 g/mol. IUPAC: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide.
Chemical Property Profile of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide
Property Insights of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide
The XLogP value of 3.77382 indicates that N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide 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)-2-methylbenzamide. Following Lipinski's Rule of Five, N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide 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)-2-methylbenzamide?
The CAS number of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide is 313404-29-4.
What is the molecular formula of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide?
The molecular formula of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide is C16H13N3O4S.
What is the molecular weight of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide?
The molecular weight of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide is 343.06 g/mol.
Where can I buy N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide?
You can request a quote for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide 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)-2-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.