2-Phenylethyl 3-methylbenzoate
TL;DR: 2-Phenylethyl 3-methylbenzoate (CAS 76820-74-1) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 3-methylbenzoate
Also Known As: Hexabrix, 2-Phenylethyl 3-methylbenzoate, Hexabrix 320, Sodium meglumine ioxaglate, phenethyl 3-methylbenzoate
| Molecular Formula | C16H16O2 |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.11504 |
| Heavy Atoms | 18 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 76820-74-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OCCC2=CC=CC=C2 |
| InChIKey | PFOCDDAEBULFSY-UHFFFAOYSA-N |
Product Overview
2-Phenylethyl 3-methylbenzoate (CAS 76820-74-1), with molecular formula C16H16O2 and molecular weight 240.12 g/mol. IUPAC: 2-phenylethyl 3-methylbenzoate.
Chemical Property Profile of 2-Phenylethyl 3-methylbenzoate
Property Insights of 2-Phenylethyl 3-methylbenzoate
The XLogP value of 4.4 indicates that 2-Phenylethyl 3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Phenylethyl 3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl 3-methylbenzoate 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-Phenylethyl 3-methylbenzoate?
The CAS number of 2-Phenylethyl 3-methylbenzoate is 76820-74-1.
What is the molecular formula of 2-Phenylethyl 3-methylbenzoate?
The molecular formula of 2-Phenylethyl 3-methylbenzoate is C16H16O2.
What is the molecular weight of 2-Phenylethyl 3-methylbenzoate?
The molecular weight of 2-Phenylethyl 3-methylbenzoate is 240.12 g/mol.
Where can I buy 2-Phenylethyl 3-methylbenzoate?
You can request a quote for 2-Phenylethyl 3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethyl 3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.