1-Methyl-1-phenylpropyl acetate
TL;DR: 1-Methyl-1-phenylpropyl acetate (CAS 10042-36-1) 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.
2-phenylbutan-2-yl acetate
Also Known As: 2-phenylbutan-2-yl Acetate, 2-Acetoxy-2-phenylbutane, 1-METHYL-1-PHENYLPROPYL ACETATE, acetic acid-(1-methyl-1-phenyl-propyl ester), Acetic acid 1-methyl-1-phenylpropyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.8749 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 305.35757 |
Chemical Identifiers
| CAS Number | 10042-36-1 |
|---|---|
| SMILES | CCC(C)(C1=CC=CC=C1)OC(=O)C |
Product Overview
1-Methyl-1-phenylpropyl acetate (CAS 10042-36-1), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-phenylbutan-2-yl acetate.
Chemical Property Profile of 1-Methyl-1-phenylpropyl acetate
Property Insights of 1-Methyl-1-phenylpropyl acetate
The XLogP value of 2.8749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1-phenylpropyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Methyl-1-phenylpropyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1-phenylpropyl acetate 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 1-Methyl-1-phenylpropyl acetate?
The CAS number of 1-Methyl-1-phenylpropyl acetate is 10042-36-1.
What is the molecular formula of 1-Methyl-1-phenylpropyl acetate?
The molecular formula of 1-Methyl-1-phenylpropyl acetate is C12H16O2.
What is the molecular weight of 1-Methyl-1-phenylpropyl acetate?
The molecular weight of 1-Methyl-1-phenylpropyl acetate is 192.12 g/mol.
Where can I buy 1-Methyl-1-phenylpropyl acetate?
You can request a quote for 1-Methyl-1-phenylpropyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1-phenylpropyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1-phenylpropyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.