1,4-Dimethyl 2-hydroxy-2-methylbutanedioate
TL;DR: 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate (CAS 38574-61-7) is a chemical compound with molecular formula C7H12O5 and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-hydroxy-2-methylbutanedioate
Also Known As: dimethyl citramalate, 1,4-DIMETHYL 2-HYDROXY-2-METHYLBUTANEDIOATE, dimethyl 2-hydroxy-2-methylbutanedioate, citramalic acid dimethyl ester, Dimethyl 2-hydroxy-2-methylsuccinate
| Molecular Formula | C7H12O5 |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.06847 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 38574-61-7 |
|---|---|
| SMILES | CC(CC(=O)OC)(C(=O)OC)O |
| InChIKey | GMSSNUSBKDUVFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dimethyl 2-hydroxy-2-methylbutanedioate (CAS 38574-61-7), with molecular formula C7H12O5 and molecular weight 176.07 g/mol. IUPAC: dimethyl 2-hydroxy-2-methylbutanedioate.
Chemical Property Profile of 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate
Property Insights of 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate
The XLogP value of -0.5 indicates that 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate. Following Lipinski's Rule of Five, 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate 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 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate?
The CAS number of 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate is 38574-61-7.
What is the molecular formula of 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate?
The molecular formula of 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate is C7H12O5.
What is the molecular weight of 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate?
The molecular weight of 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate is 176.07 g/mol.
Where can I buy 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate?
You can request a quote for 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl 2-hydroxy-2-methylbutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.