![[(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate structure](/static/products/121/1210961-49-1.webp)
[(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate
TL;DR: [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate (CAS 1210961-49-1) is a chemical compound with molecular formula C18H21N5O3 and molecular weight 355.16443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate|EN300-26688654|Z17495261
Technical Specifications
| Molecular Formula | C18H21N5O3 |
| Molecular Weight | 355.16443 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.16443 Da |
| Heavy Atoms | 26 |
| Complexity | 581.0 |
| SMILES | CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3(CCCCC3)C#N)N=N1 |
| InChIKey | BDIBVTUVIKYNEJ-UHFFFAOYSA-N |
Chemical Property Profile of [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate
Property Insights of [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate. Following Lipinski's Rule of Five, [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate 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
What is the CAS number of [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate?
The CAS number of [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate is 1210961-49-1.
What is the molecular formula of [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate?
The molecular formula of [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate is C18H21N5O3.
What is the molecular weight of [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate?
The molecular weight of [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate is 355.16443 g/mol.
Where can I buy [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate?
You can request a quote for [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for [(1-cyanocyclohexyl)carbamoyl]methyl 1-ethyl-1H-1,2,3-benzotriazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.