1-Ethyl 3-methyl 2-propylmalonate
TL;DR: 1-Ethyl 3-methyl 2-propylmalonate (CAS 93692-15-0) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-ethyl 3-O-methyl 2-propylpropanedioate
Also Known As: Sodium Valproate Impurity 22, 1-Ethyl 3-methyl 2-propylmalonate, Ethyl Methyl 2-propylpropanedioate, 1-O-ethyl 3-O-methyl 2-propylpropanedioate
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.1388 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 176.45352 |
Chemical Identifiers
| CAS Number | 93692-15-0 |
|---|---|
| SMILES | CCCC(C(=O)OC)C(=O)OCC |
Product Overview
1-Ethyl 3-methyl 2-propylmalonate (CAS 93692-15-0), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 1-O-ethyl 3-O-methyl 2-propylpropanedioate.
Chemical Property Profile of 1-Ethyl 3-methyl 2-propylmalonate
Property Insights of 1-Ethyl 3-methyl 2-propylmalonate
The XLogP value of 1.1388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl 3-methyl 2-propylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Ethyl 3-methyl 2-propylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl 3-methyl 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 1-Ethyl 3-methyl 2-propylmalonate?
The CAS number of 1-Ethyl 3-methyl 2-propylmalonate is 93692-15-0.
What is the molecular formula of 1-Ethyl 3-methyl 2-propylmalonate?
The molecular formula of 1-Ethyl 3-methyl 2-propylmalonate is C9H16O4.
What is the molecular weight of 1-Ethyl 3-methyl 2-propylmalonate?
The molecular weight of 1-Ethyl 3-methyl 2-propylmalonate is 188.10 g/mol.
Where can I buy 1-Ethyl 3-methyl 2-propylmalonate?
You can request a quote for 1-Ethyl 3-methyl 2-propylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl 3-methyl 2-propylmalonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl 3-methyl 2-propylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.