![2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide structure](/static/products/854/854025-87-9.png)
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide
TL;DR: 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide (CAS 854025-87-9) is a chemical compound with molecular formula C16H19ClN6OS and molecular weight 378.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide
Also Known As: 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide, 2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)propanamide
| Molecular Formula | C16H19ClN6OS |
|---|---|
| Molecular Weight | 378.10 g/mol |
| LogP | 2.85078 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.10297 |
| Heavy Atoms | 25 |
| Complexity | 784.6678 |
Chemical Identifiers
| CAS Number | 854025-87-9 |
|---|---|
| SMILES | CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=NN1C2=CC=C(C=C2)Cl |
Product Overview
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide (CAS 854025-87-9), with molecular formula C16H19ClN6OS and molecular weight 378.10 g/mol. IUPAC: 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide.
Chemical Property Profile of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide
Property Insights of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide
The XLogP value of 2.85078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide. Following Lipinski's Rule of Five, 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide 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 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide?
The CAS number of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide is 854025-87-9.
What is the molecular formula of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide?
The molecular formula of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide is C16H19ClN6OS.
What is the molecular weight of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide?
The molecular weight of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide is 378.10 g/mol.
Where can I buy 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide?
You can request a quote for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.