Isobornyl phenylacetate
TL;DR: Isobornyl phenylacetate (CAS 94022-06-7) is a chemical compound with molecular formula C18H24O2 and molecular weight 272.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-phenylacetate
Also Known As: Isobornyl phenylacetate, EINECS 301-499-0, 1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl phenylacetate, (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-phenylacetate, 1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL PHENYLACETATE
| Molecular Formula | C18H24O2 |
|---|---|
| Molecular Weight | 272.18 g/mol |
| LogP | 3.9871 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.17764 |
| Heavy Atoms | 20 |
| Complexity | 505.40933 |
Chemical Identifiers
| CAS Number | 94022-06-7 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2)OC(=O)CC3=CC=CC=C3)C)C |
Product Overview
Isobornyl phenylacetate (CAS 94022-06-7), with molecular formula C18H24O2 and molecular weight 272.18 g/mol. IUPAC: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-phenylacetate.
Chemical Property Profile of Isobornyl phenylacetate
Property Insights of Isobornyl phenylacetate
The XLogP value of 3.9871 indicates that Isobornyl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isobornyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobornyl phenylacetate 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 Isobornyl phenylacetate?
The CAS number of Isobornyl phenylacetate is 94022-06-7.
What is the molecular formula of Isobornyl phenylacetate?
The molecular formula of Isobornyl phenylacetate is C18H24O2.
What is the molecular weight of Isobornyl phenylacetate?
The molecular weight of Isobornyl phenylacetate is 272.18 g/mol.
Where can I buy Isobornyl phenylacetate?
You can request a quote for Isobornyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobornyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Isobornyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.