Methyl 2,2,4,4-tetramethylpentanoate
TL;DR: Methyl 2,2,4,4-tetramethylpentanoate (CAS 35201-72-0) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,4,4-tetramethylpentanoate
Also Known As: Methyl 2,2,4,4-tetramethylpentanoate, Methyl 2,2,4,4-tetramethylvalerate, Pentanoic acid, 2,2,4,4-tetramethyl-, methyl ester, 2,2,4,4-Tetramethylvaleric acid, methyl ester, 2,2,4,4-Tetramethylpentanoicacidmethylester
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 35201-72-0 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C(=O)OC |
| InChIKey | WOFOCQRCLBIGLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,2,4,4-tetramethylpentanoate (CAS 35201-72-0), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: methyl 2,2,4,4-tetramethylpentanoate.
Chemical Property Profile of Methyl 2,2,4,4-tetramethylpentanoate
Property Insights of Methyl 2,2,4,4-tetramethylpentanoate
The XLogP value of 3.1 indicates that Methyl 2,2,4,4-tetramethylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,2,4,4-tetramethylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2,4,4-tetramethylpentanoate 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 Methyl 2,2,4,4-tetramethylpentanoate?
The CAS number of Methyl 2,2,4,4-tetramethylpentanoate is 35201-72-0.
What is the molecular formula of Methyl 2,2,4,4-tetramethylpentanoate?
The molecular formula of Methyl 2,2,4,4-tetramethylpentanoate is C10H20O2.
What is the molecular weight of Methyl 2,2,4,4-tetramethylpentanoate?
The molecular weight of Methyl 2,2,4,4-tetramethylpentanoate is 172.15 g/mol.
Where can I buy Methyl 2,2,4,4-tetramethylpentanoate?
You can request a quote for Methyl 2,2,4,4-tetramethylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2,4,4-tetramethylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2,4,4-tetramethylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.