Benzenepropanol, alpha,beta-dimethyl-, 1-formate
TL;DR: Benzenepropanol, alpha,beta-dimethyl-, 1-formate (CAS 63449-93-4) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-4-phenylbutan-2-yl) formate
Also Known As: 1,2-Dimethyl-3-phenylpropyl formate, (3-methyl-4-phenylbutan-2-yl) formate, 3-Methyl-4-phenylbutan-2-yl formate, 1,2-dimethyl-3-phenylpropylformate, 3-BENZYLBUTAN-2-YL FORMATE
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 63449-93-4 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)C(C)OC=O |
| InChIKey | MEHODVFYXPFAME-UHFFFAOYSA-N |
Product Overview
Benzenepropanol, alpha,beta-dimethyl-, 1-formate (CAS 63449-93-4), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (3-methyl-4-phenylbutan-2-yl) formate.
Chemical Property Profile of Benzenepropanol, alpha,beta-dimethyl-, 1-formate
Property Insights of Benzenepropanol, alpha,beta-dimethyl-, 1-formate
The XLogP value of 3.3 indicates that Benzenepropanol, alpha,beta-dimethyl-, 1-formate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzenepropanol, alpha,beta-dimethyl-, 1-formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanol, alpha,beta-dimethyl-, 1-formate 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 Benzenepropanol, alpha,beta-dimethyl-, 1-formate?
The CAS number of Benzenepropanol, alpha,beta-dimethyl-, 1-formate is 63449-93-4.
What is the molecular formula of Benzenepropanol, alpha,beta-dimethyl-, 1-formate?
The molecular formula of Benzenepropanol, alpha,beta-dimethyl-, 1-formate is C12H16O2.
What is the molecular weight of Benzenepropanol, alpha,beta-dimethyl-, 1-formate?
The molecular weight of Benzenepropanol, alpha,beta-dimethyl-, 1-formate is 192.12 g/mol.
Where can I buy Benzenepropanol, alpha,beta-dimethyl-, 1-formate?
You can request a quote for Benzenepropanol, alpha,beta-dimethyl-, 1-formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanol, alpha,beta-dimethyl-, 1-formate?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanol, alpha,beta-dimethyl-, 1-formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.