3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
TL;DR: 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 351198-66-8) is a chemical compound with molecular formula C12H11N5O5S and molecular weight 337.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
Also Known As: 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide, 3,5-dinitro-N-[(2E)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]benzamide, 3,5-DINITRO-N~1~-(5-PROPYL-1,3,4-THIADIAZOL-2-YL)BENZAMIDE
| Molecular Formula | C12H11N5O5S |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 2.5593 |
| Topological Polar Surface Area | 141.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.0481 |
| Heavy Atoms | 23 |
| Complexity | 742.70197 |
Chemical Identifiers
| CAS Number | 351198-66-8 |
|---|---|
| SMILES | CCCC1=NN=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CAS 351198-66-8), with molecular formula C12H11N5O5S and molecular weight 337.05 g/mol. IUPAC: 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
Chemical Property Profile of 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
Property Insights of 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
The XLogP value of 2.5593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide. The TPSA of 141.16 Ų indicates high polarity, suggesting 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has 1 hydrogen bond donor(s) and 8 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 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The CAS number of 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is 351198-66-8.
What is the molecular formula of 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular formula of 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is C12H11N5O5S.
What is the molecular weight of 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The molecular weight of 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is 337.05 g/mol.
Where can I buy 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
You can request a quote for 3,5-dinitro-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 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.