![3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide structure](/static/products/4156/415686-61-2.webp)
3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
TL;DR: 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 415686-61-2) is a chemical compound with molecular formula C10H4ClF3N4O3S and molecular weight 351.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide, 3-chloro-4-nitro-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)benzamide, 3-chloro-4-nitro-N-[(2Z)-5-(trifluoromethyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
| Molecular Formula | C10H4ClF3N4O3S |
|---|---|
| Molecular Weight | 351.96 g/mol |
| LogP | 3.3708 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.96448 |
| Heavy Atoms | 22 |
| Complexity | 749.25824 |
Chemical Identifiers
| CAS Number | 415686-61-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)NC2=NN=C(S2)C(F)(F)F)Cl)[N+](=O)[O-] |
Product Overview
3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CAS 415686-61-2), with molecular formula C10H4ClF3N4O3S and molecular weight 351.96 g/mol. IUPAC: 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
Property Insights of 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
The XLogP value of 3.3708 indicates that 3-chloro-4-nitro-N-[5-(trifluoromethyl)-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 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide. Following Lipinski's Rule of Five, 3-chloro-4-nitro-N-[5-(trifluoromethyl)-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 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The CAS number of 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is 415686-61-2.
What is the molecular formula of 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular formula of 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is C10H4ClF3N4O3S.
What is the molecular weight of 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The molecular weight of 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is 351.96 g/mol.
Where can I buy 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
You can request a quote for 3-chloro-4-nitro-N-[5-(trifluoromethyl)-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 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-nitro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.