三甲基丙酮酸
TL;DR: 三甲基丙酮酸 (CAS 815-17-8) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三甲基丙酮酸
3,3-dimethyl-2-oxobutanoic acid
Also Known As: 3,3-Dimethyl-2-oxobutyric acid, 3,3-Dimethyl-2-oxobutanoic acid, TRIMETHYLPYRUVIC ACID, Trimethoxymethane, Pyruvic acid, trimethyl-
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 815-17-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=O)O |
| InChIKey | IAWVHZJZHDSEOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三甲基丙酮酸 (CAS 815-17-8), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: 3,3-dimethyl-2-oxobutanoic acid.
Chemical Property Profile of 三甲基丙酮酸
Property Insights of 三甲基丙酮酸
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三甲基丙酮酸. With a topological polar surface area (TPSA) of 54.4 Ų, 三甲基丙酮酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三甲基丙酮酸 has 1 hydrogen bond donor(s) and 3 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 三甲基丙酮酸?
The CAS number of 三甲基丙酮酸 is 815-17-8.
What is the molecular formula of 三甲基丙酮酸?
The molecular formula of 三甲基丙酮酸 is C6H10O3.
What is the molecular weight of 三甲基丙酮酸?
The molecular weight of 三甲基丙酮酸 is 130.06 g/mol.
Where can I buy 三甲基丙酮酸?
You can request a quote for 三甲基丙酮酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三甲基丙酮酸?
Yes, KEHONG BIO provides custom synthesis services for 三甲基丙酮酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.