Diethyl 2-cyclohexylmethylmalonate
TL;DR: Diethyl 2-cyclohexylmethylmalonate (CAS 29805-59-2) is a chemical compound with molecular formula C14H24O4 and molecular weight 256.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(cyclohexylmethyl)propanedioate
Also Known As: malonicaciddiethylester, diethyl 2-cyclohexylmethylmalonate, diethyl(cyclohexylmethyl)malonate, diethyl (cyclohexylmethyl)propanedioate, diethyl 2-(cyclohexylmethyl)propanedioate
| Molecular Formula | C14H24O4 |
|---|---|
| Molecular Weight | 256.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 256.16745 |
| Heavy Atoms | 18 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 29805-59-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1CCCCC1)C(=O)OCC |
| InChIKey | WYEHGLSPWYCMOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-cyclohexylmethylmalonate (CAS 29805-59-2), with molecular formula C14H24O4 and molecular weight 256.17 g/mol. IUPAC: diethyl 2-(cyclohexylmethyl)propanedioate.
Chemical Property Profile of Diethyl 2-cyclohexylmethylmalonate
Property Insights of Diethyl 2-cyclohexylmethylmalonate
The XLogP value of 4.0 indicates that Diethyl 2-cyclohexylmethylmalonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-cyclohexylmethylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-cyclohexylmethylmalonate has 0 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 Diethyl 2-cyclohexylmethylmalonate?
The CAS number of Diethyl 2-cyclohexylmethylmalonate is 29805-59-2.
What is the molecular formula of Diethyl 2-cyclohexylmethylmalonate?
The molecular formula of Diethyl 2-cyclohexylmethylmalonate is C14H24O4.
What is the molecular weight of Diethyl 2-cyclohexylmethylmalonate?
The molecular weight of Diethyl 2-cyclohexylmethylmalonate is 256.17 g/mol.
Where can I buy Diethyl 2-cyclohexylmethylmalonate?
You can request a quote for Diethyl 2-cyclohexylmethylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-cyclohexylmethylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-cyclohexylmethylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.