Methyl 2-methyldecanoate
TL;DR: Methyl 2-methyldecanoate (CAS 29619-64-5) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyldecanoate
Also Known As: Methyl 2-methyldecanoate, 2-Methyldecanoic acid methyl ester, 2-methyl-decanoic acid methyl ester, Decanoic acid,2-methyl-, methyl ester, EINECS 249-730-3
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 29619-64-5 |
|---|---|
| SMILES | CCCCCCCCC(C)C(=O)OC |
| InChIKey | ZWSMRUGTQTWTII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methyldecanoate (CAS 29619-64-5), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: methyl 2-methyldecanoate.
Chemical Property Profile of Methyl 2-methyldecanoate
Property Insights of Methyl 2-methyldecanoate
The XLogP value of 4.8 indicates that Methyl 2-methyldecanoate 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-methyldecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methyldecanoate 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-methyldecanoate?
The CAS number of Methyl 2-methyldecanoate is 29619-64-5.
What is the molecular formula of Methyl 2-methyldecanoate?
The molecular formula of Methyl 2-methyldecanoate is C12H24O2.
What is the molecular weight of Methyl 2-methyldecanoate?
The molecular weight of Methyl 2-methyldecanoate is 200.18 g/mol.
Where can I buy Methyl 2-methyldecanoate?
You can request a quote for Methyl 2-methyldecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methyldecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyldecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.