Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester
TL;DR: Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester (CAS 40591-31-9) is a chemical compound with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(cyclohexylcarbamoylcarbamoyl)-2-prop-2-enylpent-4-enoate
Also Known As: Ethyl ester of cyclohexylureide-diallylmalonic acid, N-(Cyclohexylcarbamoyl)-2,2-diallylmalonamic acid ethyl ester, 4-Pentenoic acid, 2-((((cyclohexylamino)carbonyl)amino)carbonyl)-2-(2-propenyl)-, ethyl ester, MALONAMIC ACID, N-(CYCLOHEXYLCARBAMOYL)-2,2-DIALLYL-, ETHYL ESTER, ethyl 2-(cyclohexylcarbamoylcarbamoyl)-2-prop-2-enylpent-4-enoate
| Molecular Formula | C18H28N2O4 |
|---|---|
| Molecular Weight | 336.20 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 336.2049 |
| Heavy Atoms | 24 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 40591-31-9 |
|---|---|
| SMILES | CCOC(=O)C(CC=C)(CC=C)C(=O)NC(=O)NC1CCCCC1 |
| InChIKey | JYRPGGWITVAMOQ-UHFFFAOYSA-N |
Product Overview
Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester (CAS 40591-31-9), with molecular formula C18H28N2O4 and molecular weight 336.20 g/mol. IUPAC: ethyl 2-(cyclohexylcarbamoylcarbamoyl)-2-prop-2-enylpent-4-enoate.
Chemical Property Profile of Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester
Property Insights of Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester
The XLogP value of 4.0 indicates that Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester. Following Lipinski's Rule of Five, Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester has 2 hydrogen bond donor(s) and 4 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 Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester?
The CAS number of Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester is 40591-31-9.
What is the molecular formula of Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester?
The molecular formula of Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester is C18H28N2O4.
What is the molecular weight of Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester?
The molecular weight of Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester is 336.20 g/mol.
Where can I buy Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester?
You can request a quote for Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Malonamic acid, N-(cyclohexylcarbamoyl)-2,2-diallyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.