N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
TL;DR: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide (CAS 827616-77-3) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
Also Known As: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide, N-(5-butyl(1,3,4-thiadiazol-2-yl))(2-nitrophenyl)carboxamide
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 3.0412 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 656.37085 |
Chemical Identifiers
| CAS Number | 827616-77-3 |
|---|---|
| SMILES | CCCCC1=NN=C(S1)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide (CAS 827616-77-3), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide.
Chemical Property Profile of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
Property Insights of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide
The XLogP value of 3.0412 indicates that N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide 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-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
The CAS number of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide is 827616-77-3.
What is the molecular formula of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
The molecular formula of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide is C13H14N4O3S.
What is the molecular weight of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
The molecular weight of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide is 306.08 g/mol.
Where can I buy N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
You can request a quote for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.