![4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide structure](/static/products/4381/438195-10-9.webp)
4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
TL;DR: 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide (CAS 438195-10-9) is a chemical compound with molecular formula C14H15ClN4O3S and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Also Known As: 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide, 4-chloro-3-nitro-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)benzamide, 4-CHLORO-N-(5-NEOPENTYL-1,3,4-THIADIAZOL-2-YL)-3-NITROBENZAMIDE, N-[5-(2,2-dimethylpropyl)(1,3,4-thiadiazol-2-yl)](4-chloro-3-nitrophenyl)carbo xamide
| Molecular Formula | C14H15ClN4O3S |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 3.9406 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.05533 |
| Heavy Atoms | 23 |
| Complexity | 754.72095 |
Chemical Identifiers
| CAS Number | 438195-10-9 |
|---|---|
| SMILES | CC(C)(C)CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide (CAS 438195-10-9), with molecular formula C14H15ClN4O3S and molecular weight 354.06 g/mol. IUPAC: 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide.
Chemical Property Profile of 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
Property Insights of 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide
The XLogP value of 3.9406 indicates that 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-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 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-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 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The CAS number of 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is 438195-10-9.
What is the molecular formula of 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The molecular formula of 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is C14H15ClN4O3S.
What is the molecular weight of 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
The molecular weight of 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide is 354.06 g/mol.
Where can I buy 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
You can request a quote for 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.