N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide
TL;DR: N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide (CAS 444933-90-8) is a chemical compound with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide
Also Known As: N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide, N-{6-nitro-1,3-benzothiazol-2-yl}-4-propoxybenzamide, N-(6-nitrobenzothiazol-2-yl)(4-propoxyphenyl)carboxamide, N~1~-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)-4-PROPOXYBENZAMIDE
| Molecular Formula | C17H15N3O4S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 4.2456 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.07834 |
| Heavy Atoms | 25 |
| Complexity | 921.2926 |
Chemical Identifiers
| CAS Number | 444933-90-8 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide (CAS 444933-90-8), with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol. IUPAC: N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide.
Chemical Property Profile of N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide
Property Insights of N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide
The XLogP value of 4.2456 indicates that N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide 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-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide. Following Lipinski's Rule of Five, N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide 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-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide?
The CAS number of N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide is 444933-90-8.
What is the molecular formula of N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide?
The molecular formula of N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide is C17H15N3O4S.
What is the molecular weight of N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide?
The molecular weight of N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide is 357.08 g/mol.
Where can I buy N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide?
You can request a quote for N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide 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)-4-propoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-nitro-1,3-benzothiazol-2-yl)-4-propoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.