![[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate structure](/static/products/103/1031201-64-5.png)
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
TL;DR: [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (CAS 1031201-64-5) is a chemical compound with molecular formula C17H18N6O3 and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
Also Known As: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate|[(1-cyanocyclohexyl)carbamoyl]methyl 4-(1H-1,2,3,4-tetrazol-1-yl)benzoate|EN300-26687962
| Molecular Formula | C17H18N6O3 |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 1.16178 |
| Topological Polar Surface Area | 122.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.14404 |
| Heavy Atoms | 26 |
| Complexity | 804.0238 |
Chemical Identifiers
| CAS Number | 1031201-64-5 |
|---|---|
| SMILES | C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)N3C=NN=N3 |
Product Overview
[2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate (CAS 1031201-64-5), with molecular formula C17H18N6O3 and molecular weight 354.14 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate.
Chemical Property Profile of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
Property Insights of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
The XLogP value of 1.16178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate. The TPSA of 122.79 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate. Following Lipinski's Rule of Five, [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate has 1 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-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The CAS number of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is 1031201-64-5.
What is the molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The molecular formula of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is C17H18N6O3.
What is the molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
The molecular weight of [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate is 354.14 g/mol.
Where can I buy [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
You can request a quote for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(1-Cyanocyclohexyl)amino]-2-oxoethyl] 4-(tetrazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.