3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 313239-69-9) is a chemical compound with molecular formula C12H11ClN4O3S and molecular weight 326.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide, BAS 00321574, A0910/0042683, 3-Chloro-4-nitro-N-(5-propyl-[1,3,4]thiadiazol-2-yl)-benzamide
| Molecular Formula | C12H11ClN4O3S |
|---|---|
| Molecular Weight | 326.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.02405 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 313239-69-9 |
|---|---|
| SMILES | CCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | CDWRASXYSROSBJ-UHFFFAOYSA-N |
Product Overview
3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 313239-69-9), with molecular formula C12H11ClN4O3S and molecular weight 326.02 g/mol. IUPAC: 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 3.2 indicates that 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 3-chloro-4-nitro-N-(5-propyl-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-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is 313239-69-9.
What is the molecular formula of 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is C12H11ClN4O3S.
What is the molecular weight of 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is 326.02 g/mol.
Where can I buy 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 3-chloro-4-nitro-N-(5-propyl-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-propyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-nitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.