![[(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate structure](/static/products/1002/1002489-67-9.webp)
[(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate (CAS 1002489-67-9) is a chemical compound with molecular formula C18H23N3O3 and molecular weight 329.17 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-(dimethylamino)benzoate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(dimethylamino)benzoate|EN300-26685451
| Molecular Formula | C18H23N3O3 |
|---|---|
| Molecular Weight | 329.17 g/mol |
| LogP | 2.25208 |
| Topological Polar Surface Area | 82.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.17395 |
| Heavy Atoms | 24 |
| Complexity | 625.90424 |
Chemical Identifiers
| CAS Number | 1002489-67-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate (CAS 1002489-67-9), with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(dimethylamino)benzoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate
The XLogP value of 2.25208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate. The TPSA of 82.43 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate has 1 hydrogen bond donor(s) and 5 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 [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate is 1002489-67-9.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate is C18H23N3O3.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate is 329.17 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 4-(dimethylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.