Neophyl acetate
TL;DR: Neophyl acetate (CAS 18755-52-7) 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-methyl-2-phenylpropyl) acetate
Also Known As: neophyl acetate, (2-methyl-2-phenylpropyl) acetate, 2-METHYL-2-PHENYLPROPYL ACETATE, (2-methyl-2-phenylpropyl)acetate, (2-methyl-2-phenyl-propyl)acetate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 18755-52-7 |
|---|---|
| SMILES | CC(=O)OCC(C)(C)C1=CC=CC=C1 |
| InChIKey | PEBXDRHRHPKKHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neophyl acetate (CAS 18755-52-7), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (2-methyl-2-phenylpropyl) acetate.
Chemical Property Profile of Neophyl acetate
Property Insights of Neophyl acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neophyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Neophyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neophyl 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 Neophyl acetate?
The CAS number of Neophyl acetate is 18755-52-7.
What is the molecular formula of Neophyl acetate?
The molecular formula of Neophyl acetate is C12H16O2.
What is the molecular weight of Neophyl acetate?
The molecular weight of Neophyl acetate is 192.12 g/mol.
Where can I buy Neophyl acetate?
You can request a quote for Neophyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neophyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Neophyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.