1-Phenylbutan-2-yl formate
TL;DR: 1-Phenylbutan-2-yl formate (CAS 120383-87-1) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenylbutan-2-yl formate
Also Known As: 1-phenylbutan-2-yl formate
Technical Specifications
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.09938 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 Da |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
| SMILES | CCC(CC1=CC=CC=C1)OC=O |
| InChIKey | MHIATMHRNFTCTB-UHFFFAOYSA-N |
Chemical Property Profile of 1-Phenylbutan-2-yl formate
Property Insights of 1-Phenylbutan-2-yl formate
The XLogP value of 3.0 indicates that 1-Phenylbutan-2-yl 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, 1-Phenylbutan-2-yl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylbutan-2-yl 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
What is the CAS number of 1-Phenylbutan-2-yl formate?
The CAS number of 1-Phenylbutan-2-yl formate is 120383-87-1.
What is the molecular formula of 1-Phenylbutan-2-yl formate?
The molecular formula of 1-Phenylbutan-2-yl formate is C11H14O2.
What is the molecular weight of 1-Phenylbutan-2-yl formate?
The molecular weight of 1-Phenylbutan-2-yl formate is 178.09938 g/mol.
Where can I buy 1-Phenylbutan-2-yl formate?
You can request a quote for 1-Phenylbutan-2-yl formate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenylbutan-2-yl formate?
Yes, CoreyChem provides custom synthesis services for 1-Phenylbutan-2-yl formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.