Benzyl 2-methylpentanoate
TL;DR: Benzyl 2-methylpentanoate (CAS 767-62-4) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-methylpentanoate
Also Known As: benzyl 2-methylpentanoate, benzyl2-methylpentanoate, Pentanoic acid,2-methyl-, phenylmethyl ester, RefChem:328436
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 767-62-4 |
|---|---|
| SMILES | CCCC(C)C(=O)OCC1=CC=CC=C1 |
| InChIKey | CVOZHQPVDUDQPK-UHFFFAOYSA-N |
Product Overview
Benzyl 2-methylpentanoate (CAS 767-62-4), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: benzyl 2-methylpentanoate.
Chemical Property Profile of Benzyl 2-methylpentanoate
Property Insights of Benzyl 2-methylpentanoate
The XLogP value of 3.6 indicates that Benzyl 2-methylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 2-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-methylpentanoate 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 Benzyl 2-methylpentanoate?
The CAS number of Benzyl 2-methylpentanoate is 767-62-4.
What is the molecular formula of Benzyl 2-methylpentanoate?
The molecular formula of Benzyl 2-methylpentanoate is C13H18O2.
What is the molecular weight of Benzyl 2-methylpentanoate?
The molecular weight of Benzyl 2-methylpentanoate is 206.13 g/mol.
Where can I buy Benzyl 2-methylpentanoate?
You can request a quote for Benzyl 2-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.