Butanedioic acid, 1-ethyl 4-methyl ester
TL;DR: Butanedioic acid, 1-ethyl 4-methyl ester (CAS 627-73-6) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 1-O-methyl butanedioate
Also Known As: Butanedioic acid, ethyl methyl ester, ethyl methyl succinate, methyl ethyl succinate, Succinic acid 1-ethyl 4-methyl ester, 4-O-ethyl 1-O-methyl butanedioate
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 627-73-6 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)OC |
| InChIKey | HXXRQBBSGZDQNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 1-ethyl 4-methyl ester (CAS 627-73-6), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 4-O-ethyl 1-O-methyl butanedioate.
Chemical Property Profile of Butanedioic acid, 1-ethyl 4-methyl ester
Property Insights of Butanedioic acid, 1-ethyl 4-methyl ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 1-ethyl 4-methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Butanedioic acid, 1-ethyl 4-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 1-ethyl 4-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 Butanedioic acid, 1-ethyl 4-methyl ester?
The CAS number of Butanedioic acid, 1-ethyl 4-methyl ester is 627-73-6.
What is the molecular formula of Butanedioic acid, 1-ethyl 4-methyl ester?
The molecular formula of Butanedioic acid, 1-ethyl 4-methyl ester is C7H12O4.
What is the molecular weight of Butanedioic acid, 1-ethyl 4-methyl ester?
The molecular weight of Butanedioic acid, 1-ethyl 4-methyl ester is 160.07 g/mol.
Where can I buy Butanedioic acid, 1-ethyl 4-methyl ester?
You can request a quote for Butanedioic acid, 1-ethyl 4-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 1-ethyl 4-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 1-ethyl 4-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.