Dimethyl 2,2-dipropylmalonate
TL;DR: Dimethyl 2,2-dipropylmalonate (CAS 16644-05-6) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,2-dipropylpropanedioate
Also Known As: Dimethyl 2,2-dipropylmalonate, dimethyl 2,2-dipropylpropanedioate, Dimethyl 22-dipropylmalonate, Dimethyl dipropylpropanedioate, Dimethyl2,2-dipropylmalonate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 16644-05-6 |
|---|---|
| SMILES | CCCC(CCC)(C(=O)OC)C(=O)OC |
| InChIKey | ZFMAHACGDXIMSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,2-dipropylmalonate (CAS 16644-05-6), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: dimethyl 2,2-dipropylpropanedioate.
Chemical Property Profile of Dimethyl 2,2-dipropylmalonate
Property Insights of Dimethyl 2,2-dipropylmalonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,2-dipropylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,2-dipropylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,2-dipropylmalonate 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 2,2-dipropylmalonate?
The CAS number of Dimethyl 2,2-dipropylmalonate is 16644-05-6.
What is the molecular formula of Dimethyl 2,2-dipropylmalonate?
The molecular formula of Dimethyl 2,2-dipropylmalonate is C11H20O4.
What is the molecular weight of Dimethyl 2,2-dipropylmalonate?
The molecular weight of Dimethyl 2,2-dipropylmalonate is 216.14 g/mol.
Where can I buy Dimethyl 2,2-dipropylmalonate?
You can request a quote for Dimethyl 2,2-dipropylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2-dipropylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2-dipropylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.