Dimethyl isopropylmalonate
TL;DR: Dimethyl isopropylmalonate (CAS 29440-90-2) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-propan-2-ylpropanedioate
Also Known As: Dimethyl isopropylmalonate, Dimethyl 2-isopropylmalonate, DimethylIsopropylmalonate, 2-Isopropylmalonic acid dimethyl ester, Valproic Acid Impurity 17
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 29440-90-2 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)C(=O)OC |
| InChIKey | HVNFMZHHKRLLNH-UHFFFAOYSA-N |
Product Overview
Dimethyl isopropylmalonate (CAS 29440-90-2), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: dimethyl 2-propan-2-ylpropanedioate.
Chemical Property Profile of Dimethyl isopropylmalonate
Property Insights of Dimethyl isopropylmalonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl isopropylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl isopropylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl isopropylmalonate 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 Dimethyl isopropylmalonate?
The CAS number of Dimethyl isopropylmalonate is 29440-90-2.
What is the molecular formula of Dimethyl isopropylmalonate?
The molecular formula of Dimethyl isopropylmalonate is C8H14O4.
What is the molecular weight of Dimethyl isopropylmalonate?
The molecular weight of Dimethyl isopropylmalonate is 174.09 g/mol.
Where can I buy Dimethyl isopropylmalonate?
You can request a quote for Dimethyl isopropylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl isopropylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl isopropylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.