Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester
TL;DR: Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester (CAS 72718-97-9) is a chemical compound with molecular formula C8H14O5 and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-ethyl-2-hydroxybutanedioate
Also Known As: dimethyl 2-ethyl-2-hydroxybutanedioate, 1,4-dimethyl 2-ethyl-2-hydroxybutanedioate, Butanedioic acid, 2-ethyl-2-hydroxy, dimethyl ester, Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester
| Molecular Formula | C8H14O5 |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.08412 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 72718-97-9 |
|---|---|
| SMILES | CCC(CC(=O)OC)(C(=O)OC)O |
| InChIKey | AHVQMKGBZAIWQZ-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester (CAS 72718-97-9), with molecular formula C8H14O5 and molecular weight 190.08 g/mol. IUPAC: dimethyl 2-ethyl-2-hydroxybutanedioate.
Chemical Property Profile of Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester
Property Insights of Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester. Following Lipinski's Rule of Five, Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester has 1 hydrogen bond donor(s) and 5 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, 2-hydroxy-2-ethyl, dimethyl ester?
The CAS number of Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester is 72718-97-9.
What is the molecular formula of Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester?
The molecular formula of Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester is C8H14O5.
What is the molecular weight of Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester?
The molecular weight of Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester is 190.08 g/mol.
Where can I buy Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester?
You can request a quote for Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl 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, 2-hydroxy-2-ethyl, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-hydroxy-2-ethyl, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.