Dimethyl 2-propylmalonate
TL;DR: Dimethyl 2-propylmalonate (CAS 163033-62-3) 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-propylpropanedioate
Also Known As: Dimethyl 2-propylmalonate, DIMETHYL PROPYLMALONATE, Dimethylpropylmalonate, dimethyl 2-propylpropanedioate, Valproate Impurity 52
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 163033-62-3 |
|---|---|
| SMILES | CCCC(C(=O)OC)C(=O)OC |
| InChIKey | GQTSAGKZHIWKMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-propylmalonate (CAS 163033-62-3), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: dimethyl 2-propylpropanedioate.
Chemical Property Profile of Dimethyl 2-propylmalonate
Property Insights of Dimethyl 2-propylmalonate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-propylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-propylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-propylmalonate 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 2-propylmalonate?
The CAS number of Dimethyl 2-propylmalonate is 163033-62-3.
What is the molecular formula of Dimethyl 2-propylmalonate?
The molecular formula of Dimethyl 2-propylmalonate is C8H14O4.
What is the molecular weight of Dimethyl 2-propylmalonate?
The molecular weight of Dimethyl 2-propylmalonate is 174.09 g/mol.
Where can I buy Dimethyl 2-propylmalonate?
You can request a quote for Dimethyl 2-propylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-propylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-propylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.