Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester
TL;DR: Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester (CAS 38535-05-6) is a chemical compound with molecular formula C11H20O6 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate
Also Known As: Dimethyl 2,3-dihydroxy-2-isopentylsuccinate, Dimethyl 2,3-dihydroxy-2-isopentylsuccinate #, 2,3-Dihydroxy-2-(3-methylbutyl)butanedioic acid dimethyl ester, dimethyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate, 1,4-dimethyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate
| Molecular Formula | C11H20O6 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 248.12599 |
| Heavy Atoms | 17 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 38535-05-6 |
|---|---|
| SMILES | CC(C)CCC(C(C(=O)OC)O)(C(=O)OC)O |
| InChIKey | HAHVMCLDVDZSLV-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester (CAS 38535-05-6), with molecular formula C11H20O6 and molecular weight 248.13 g/mol. IUPAC: dimethyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate.
Chemical Property Profile of Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester
Property Insights of Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester. Following Lipinski's Rule of Five, Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester has 2 hydrogen bond donor(s) and 6 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, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester?
The CAS number of Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester is 38535-05-6.
What is the molecular formula of Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester?
The molecular formula of Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester is C11H20O6.
What is the molecular weight of Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester?
The molecular weight of Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester is 248.13 g/mol.
Where can I buy Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester?
You can request a quote for Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, 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, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2,3-dihydroxy-2-(3-methylbutyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.