4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 701244-58-8) is a chemical compound with molecular formula C17H13ClN4O3S and molecular weight 388.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-nitro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide, 4-chloro-2-nitro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide, (4-chloro-2-nitrophenyl)-N-[5-(2-phenylethyl)(1,3,4-thiadiazol-2-yl)]carboxami de
| Molecular Formula | C17H13ClN4O3S |
|---|---|
| Molecular Weight | 388.04 g/mol |
| LogP | 4.1372 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.0397 |
| Heavy Atoms | 26 |
| Complexity | 946.19086 |
Chemical Identifiers
| CAS Number | 701244-58-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 701244-58-8), with molecular formula C17H13ClN4O3S and molecular weight 388.04 g/mol. IUPAC: 4-chloro-2-nitro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 4.1372 indicates that 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide 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 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-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 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide is 701244-58-8.
What is the molecular formula of 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide is C17H13ClN4O3S.
What is the molecular weight of 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide is 388.04 g/mol.
Where can I buy 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-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 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-nitro-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.