2,2,4-三甲基戊酸甲酯
TL;DR: 2,2,4-三甲基戊酸甲酯 (CAS 71672-36-1) 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.
2,2,4-三甲基戊酸甲酯
methyl 2,2,4-trimethylpentanoate
Also Known As: methyl 2,2,4-trimethylpentanoate, Pentanoic acid, 2,2,4-trimethyl-, methyl ester, Pentanoicacid,2,2,4-trimethyl-,methylester, F2147-6055
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 71672-36-1 |
|---|---|
| SMILES | CC(C)CC(C)(C)C(=O)OC |
| InChIKey | LCWGYENVYPAVPG-UHFFFAOYSA-N |
Product Overview
2,2,4-三甲基戊酸甲酯 (CAS 71672-36-1), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: methyl 2,2,4-trimethylpentanoate.
Chemical Property Profile of 2,2,4-三甲基戊酸甲酯
Property Insights of 2,2,4-三甲基戊酸甲酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-三甲基戊酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,4-三甲基戊酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-三甲基戊酸甲酯 has 0 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 2,2,4-三甲基戊酸甲酯?
The CAS number of 2,2,4-三甲基戊酸甲酯 is 71672-36-1.
What is the molecular formula of 2,2,4-三甲基戊酸甲酯?
The molecular formula of 2,2,4-三甲基戊酸甲酯 is C9H18O2.
What is the molecular weight of 2,2,4-三甲基戊酸甲酯?
The molecular weight of 2,2,4-三甲基戊酸甲酯 is 158.13 g/mol.
Where can I buy 2,2,4-三甲基戊酸甲酯?
You can request a quote for 2,2,4-三甲基戊酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-三甲基戊酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-三甲基戊酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.