![2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate structure](/static/products/7572/757220-15-8.webp)
2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate
TL;DR: 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate (CAS 757220-15-8) is a chemical compound with molecular formula C15H16N6O3 and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate
Also Known As: 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate, [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate, 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl (1H-tetrazol-1-yl)acetate
| Molecular Formula | C15H16N6O3 |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 0.4716 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.1284 |
| Heavy Atoms | 24 |
| Complexity | 720.6677 |
Chemical Identifiers
| CAS Number | 757220-15-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CN2C=NN=N2 |
Product Overview
2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate (CAS 757220-15-8), with molecular formula C15H16N6O3 and molecular weight 328.13 g/mol. IUPAC: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-(tetrazol-1-yl)acetate.
Chemical Property Profile of 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate
Property Insights of 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate
The XLogP value of 0.4716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate. Following Lipinski's Rule of Five, 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate has 0 hydrogen bond donor(s) and 7 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-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate?
The CAS number of 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate is 757220-15-8.
What is the molecular formula of 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate?
The molecular formula of 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate is C15H16N6O3.
What is the molecular weight of 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate?
The molecular weight of 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate is 328.13 g/mol.
Where can I buy 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate?
You can request a quote for 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Cyanoethyl)(4-methylphenyl)amino]-2-oxoethyl 1H-tetrazole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.