Pentanedioic acid, ethyl methyl ester
TL;DR: Pentanedioic acid, ethyl methyl ester (CAS 51503-30-1) 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.
5-O-ethyl 1-O-methyl pentanedioate
Also Known As: ethyl methyl glutarate, Pentanedioic acid, ethyl methyl ester, Methyl ethyll glutarate, Ethyl methyl pentanedioate, 5-O-ethyl 1-O-methyl pentanedioate
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 51503-30-1 |
|---|---|
| SMILES | CCOC(=O)CCCC(=O)OC |
| InChIKey | YHRUNAIXGSNSTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanedioic acid, ethyl methyl ester (CAS 51503-30-1), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 5-O-ethyl 1-O-methyl pentanedioate.
Chemical Property Profile of Pentanedioic acid, ethyl methyl ester
Property Insights of Pentanedioic acid, ethyl methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanedioic acid, ethyl methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Pentanedioic acid, ethyl methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanedioic acid, ethyl methyl 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, ethyl methyl ester?
The CAS number of Pentanedioic acid, ethyl methyl ester is 51503-30-1.
What is the molecular formula of Pentanedioic acid, ethyl methyl ester?
The molecular formula of Pentanedioic acid, ethyl methyl ester is C8H14O4.
What is the molecular weight of Pentanedioic acid, ethyl methyl ester?
The molecular weight of Pentanedioic acid, ethyl methyl ester is 174.09 g/mol.
Where can I buy Pentanedioic acid, ethyl methyl ester?
You can request a quote for Pentanedioic acid, ethyl methyl 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, ethyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, ethyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.