Dimenthyl malonate
TL;DR: Dimenthyl malonate (CAS 131348-66-8) is a chemical compound with molecular formula C23H40O4 and molecular weight 380.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-methyl-2-propan-2-ylcyclohexyl) propanedioate
Also Known As: dimenthyl malonate, Malonsaeure-dimenthylester, Malonic acid, di-(-)-menthyl ester, Malonic acid bis(p-menthane-3-yl) ester, J1.977.317E
| Molecular Formula | C23H40O4 |
|---|---|
| Molecular Weight | 380.29 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.29266 |
| Heavy Atoms | 27 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 131348-66-8 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)CC(=O)OC2CC(CCC2C(C)C)C)C(C)C |
| InChIKey | DXIMSSOEQPVPJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimenthyl malonate (CAS 131348-66-8), with molecular formula C23H40O4 and molecular weight 380.29 g/mol. IUPAC: bis(5-methyl-2-propan-2-ylcyclohexyl) propanedioate.
Chemical Property Profile of Dimenthyl malonate
Property Insights of Dimenthyl malonate
The XLogP value of 7.1 indicates that Dimenthyl malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimenthyl malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimenthyl malonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimenthyl malonate?
The CAS number of Dimenthyl malonate is 131348-66-8.
What is the molecular formula of Dimenthyl malonate?
The molecular formula of Dimenthyl malonate is C23H40O4.
What is the molecular weight of Dimenthyl malonate?
The molecular weight of Dimenthyl malonate is 380.29 g/mol.
Where can I buy Dimenthyl malonate?
You can request a quote for Dimenthyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimenthyl malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimenthyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.