![[(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate structure](/static/products/100/1002457-08-0.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate (CAS 1002457-08-0) is a chemical compound with molecular formula C21H28N2O6 and molecular weight 404.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate|EN300-26686143
| Molecular Formula | C21H28N2O6 |
|---|---|
| Molecular Weight | 404.19 g/mol |
| LogP | 2.53088 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 404.19473 |
| Heavy Atoms | 29 |
| Complexity | 739.9202 |
Chemical Identifiers
| CAS Number | 1002457-08-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NC2(CCCCC2)C#N |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate (CAS 1002457-08-0), with molecular formula C21H28N2O6 and molecular weight 404.19 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate
The XLogP value of 2.53088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate 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 [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate is 1002457-08-0.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate is C21H28N2O6.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate is 404.19 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate 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 3-(3,4,5-trimethoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 3-(3,4,5-trimethoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.