2-Ethyl-2,3,3-trimethylbutanoic acid
TL;DR: 2-Ethyl-2,3,3-trimethylbutanoic acid (CAS 38541-67-2) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2,3,3-trimethylbutanoic acid
Also Known As: 2-Ethyl-2,3,3-trimethylbutanoic acid, 2-ethyl-2,3,3-trimethylbutyric acid, 2-Methyl-2-tert-butylbutanoic acid, 2-Ethyl-2,3,3-trimethylbutyricAcid, Butanoic acid, 2-ethyl-2,3,3-trimethyl-
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 38541-67-2 |
|---|---|
| SMILES | CCC(C)(C(=O)O)C(C)(C)C |
| InChIKey | SXJBHJCKWQIWHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-2,3,3-trimethylbutanoic acid (CAS 38541-67-2), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 2-ethyl-2,3,3-trimethylbutanoic acid.
Chemical Property Profile of 2-Ethyl-2,3,3-trimethylbutanoic acid
Property Insights of 2-Ethyl-2,3,3-trimethylbutanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-2,3,3-trimethylbutanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Ethyl-2,3,3-trimethylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-2,3,3-trimethylbutanoic acid has 1 hydrogen bond donor(s) and 2 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 2-Ethyl-2,3,3-trimethylbutanoic acid?
The CAS number of 2-Ethyl-2,3,3-trimethylbutanoic acid is 38541-67-2.
What is the molecular formula of 2-Ethyl-2,3,3-trimethylbutanoic acid?
The molecular formula of 2-Ethyl-2,3,3-trimethylbutanoic acid is C9H18O2.
What is the molecular weight of 2-Ethyl-2,3,3-trimethylbutanoic acid?
The molecular weight of 2-Ethyl-2,3,3-trimethylbutanoic acid is 158.13 g/mol.
Where can I buy 2-Ethyl-2,3,3-trimethylbutanoic acid?
You can request a quote for 2-Ethyl-2,3,3-trimethylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-2,3,3-trimethylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-2,3,3-trimethylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.