Benzeneacetic acid, 2-methylbutyl ester
TL;DR: Benzeneacetic acid, 2-methylbutyl ester (CAS 61889-11-0) 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.
2-methylbutyl 2-phenylacetate
Also Known As: 2-Methylbutyl phenylacetate, 2-methylbutyl 2-phenylacetate, 2-Methylbutyl phenyl acetate, Benzeneacetic acid, 2-methylbutyl ester, Benzeneacetic acid 2-methylbutyl ester
| 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 | 61889-11-0 |
|---|---|
| SMILES | CCC(C)COC(=O)CC1=CC=CC=C1 |
| InChIKey | CTASGNLIGDMFEW-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 2-methylbutyl ester (CAS 61889-11-0), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 2-methylbutyl 2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, 2-methylbutyl ester
Property Insights of Benzeneacetic acid, 2-methylbutyl ester
The XLogP value of 3.6 indicates that Benzeneacetic acid, 2-methylbutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, 2-methylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 2-methylbutyl ester 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 Benzeneacetic acid, 2-methylbutyl ester?
The CAS number of Benzeneacetic acid, 2-methylbutyl ester is 61889-11-0.
What is the molecular formula of Benzeneacetic acid, 2-methylbutyl ester?
The molecular formula of Benzeneacetic acid, 2-methylbutyl ester is C13H18O2.
What is the molecular weight of Benzeneacetic acid, 2-methylbutyl ester?
The molecular weight of Benzeneacetic acid, 2-methylbutyl ester is 206.13 g/mol.
Where can I buy Benzeneacetic acid, 2-methylbutyl ester?
You can request a quote for Benzeneacetic acid, 2-methylbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2-methylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2-methylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.