N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
TL;DR: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide (CAS 313404-33-0) is a chemical compound with molecular formula C21H15N3O5S and molecular weight 421.07 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)-4-phenoxybenzamide
Also Known As: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide, N-(4-methoxy-6-nitrobenzo[d]thiazol-2-yl)-4-phenoxybenzamide, F0161-0164, N-(4-methoxy-6-nitro-benzothiazol-2-yl)-4-phenoxy-benzamide
| Molecular Formula | C21H15N3O5S |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 5.2577 |
| Topological Polar Surface Area | 103.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.07324 |
| Heavy Atoms | 30 |
| Complexity | 1222.8694 |
Chemical Identifiers
| CAS Number | 313404-33-0 |
|---|---|
| SMILES | COC1=C2C(=CC(=C1)[N+](=O)[O-])SC(=N2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4 |
Product Overview
N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide (CAS 313404-33-0), with molecular formula C21H15N3O5S and molecular weight 421.07 g/mol. IUPAC: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide.
Chemical Property Profile of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
Property Insights of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
The XLogP value of 5.2577 indicates that N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide. Following Lipinski's Rule of Five, N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide?
The CAS number of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide is 313404-33-0.
What is the molecular formula of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide?
The molecular formula of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide is C21H15N3O5S.
What is the molecular weight of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide?
The molecular weight of N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide is 421.07 g/mol.
Where can I buy N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide?
You can request a quote for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide 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)-4-phenoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-4-phenoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.