Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester
TL;DR: Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester (CAS 17804-59-0) 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.
diethyl 3,3-dimethylpentanedioate
Also Known As: Diethyl 3,3-dimethylpentanedioate, Diethyl 3,3-dimethylglutarate, Pentanedioic acid, 3,3-dimethyl-, diethyl ester, diethyl beta,beta-dimethylglutarate, 1,5-DIETHYL 3,3-DIMETHYLPENTANEDIOATE
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 1.8 |
| 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 | 17804-59-0 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C)CC(=O)OCC |
| InChIKey | WKLBAFKOKJVNMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester (CAS 17804-59-0), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: diethyl 3,3-dimethylpentanedioate.
Chemical Property Profile of Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester
Property Insights of Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester 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 Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester?
The CAS number of Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester is 17804-59-0.
What is the molecular formula of Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester?
The molecular formula of Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester is C11H20O4.
What is the molecular weight of Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester?
The molecular weight of Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester is 216.14 g/mol.
Where can I buy Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester?
You can request a quote for Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, 3,3-dimethyl-, 1,5-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.