3,3-Dimethyl-pentanedioic acid dimethyl ester
TL;DR: 3,3-Dimethyl-pentanedioic acid dimethyl ester (CAS 19184-67-9) 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.
dimethyl 3,3-dimethylpentanedioate
Also Known As: Dimethyl 3,3-dimethylpentanedioate, 3,3-DIMETHYL-PENTANEDIOIC ACID DIMETHYL ESTER, Methyl 3,3-dimethylglutarate, Dimethyl3,3-dimethylpentanedioate, Pentanedioic acid, 3,3-dimethyl-, dimethyl ester
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 19184-67-9 |
|---|---|
| SMILES | CC(C)(CC(=O)OC)CC(=O)OC |
| InChIKey | NPEAPWIQJBAJIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethyl-pentanedioic acid dimethyl ester (CAS 19184-67-9), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: dimethyl 3,3-dimethylpentanedioate.
Chemical Property Profile of 3,3-Dimethyl-pentanedioic acid dimethyl ester
Property Insights of 3,3-Dimethyl-pentanedioic acid dimethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-pentanedioic acid dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 3,3-Dimethyl-pentanedioic acid dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-pentanedioic acid dimethyl 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 3,3-Dimethyl-pentanedioic acid dimethyl ester?
The CAS number of 3,3-Dimethyl-pentanedioic acid dimethyl ester is 19184-67-9.
What is the molecular formula of 3,3-Dimethyl-pentanedioic acid dimethyl ester?
The molecular formula of 3,3-Dimethyl-pentanedioic acid dimethyl ester is C9H16O4.
What is the molecular weight of 3,3-Dimethyl-pentanedioic acid dimethyl ester?
The molecular weight of 3,3-Dimethyl-pentanedioic acid dimethyl ester is 188.10 g/mol.
Where can I buy 3,3-Dimethyl-pentanedioic acid dimethyl ester?
You can request a quote for 3,3-Dimethyl-pentanedioic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-pentanedioic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-pentanedioic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.