Butanedioic acid, trimethyl-
TL;DR: Butanedioic acid, trimethyl- (CAS 2103-16-4) 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.
2,2,3-trimethylbutanedioic acid
Also Known As: Trimethyl butanedioic acid, Butanedioic acid, trimethyl-, Trimethylbernsteinsaure, 2, 2-methyl-, 2,2,3-trimethylbutanedioic acid
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 2103-16-4 |
|---|---|
| SMILES | CC(C(=O)O)C(C)(C)C(=O)O |
| InChIKey | KJDGGLOKWHMBOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, trimethyl- (CAS 2103-16-4), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 2,2,3-trimethylbutanedioic acid.
Chemical Property Profile of Butanedioic acid, trimethyl-
Property Insights of Butanedioic acid, trimethyl-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, trimethyl-. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, trimethyl-. Following Lipinski's Rule of Five, Butanedioic acid, trimethyl- has 2 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, trimethyl-?
The CAS number of Butanedioic acid, trimethyl- is 2103-16-4.
What is the molecular formula of Butanedioic acid, trimethyl-?
The molecular formula of Butanedioic acid, trimethyl- is C7H12O4.
What is the molecular weight of Butanedioic acid, trimethyl-?
The molecular weight of Butanedioic acid, trimethyl- is 160.07 g/mol.
Where can I buy Butanedioic acid, trimethyl-?
You can request a quote for Butanedioic acid, trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.