Isobornyl benzoate
TL;DR: Isobornyl benzoate (CAS 26927-89-9) is a chemical compound with molecular formula C17H22O2 and molecular weight 258.16 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) benzoate
Also Known As: Isobornyl benzoate, Bornyl benzoate, Bornylbenzoate, isobornylbenzoate, Benzoic acid 2-bornyl ester
| Molecular Formula | C17H22O2 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.162 |
| Heavy Atoms | 19 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 26927-89-9 |
|---|---|
| SMILES | CC1(C2CCC1(C(C2)OC(=O)C3=CC=CC=C3)C)C |
| InChIKey | FLOISDYCXINJOB-UHFFFAOYSA-N |
Product Overview
Isobornyl benzoate (CAS 26927-89-9), with molecular formula C17H22O2 and molecular weight 258.16 g/mol. IUPAC: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) benzoate.
Chemical Property Profile of Isobornyl benzoate
Property Insights of Isobornyl benzoate
The XLogP value of 5.0 indicates that Isobornyl benzoate 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 benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobornyl benzoate 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 benzoate?
The CAS number of Isobornyl benzoate is 26927-89-9.
What is the molecular formula of Isobornyl benzoate?
The molecular formula of Isobornyl benzoate is C17H22O2.
What is the molecular weight of Isobornyl benzoate?
The molecular weight of Isobornyl benzoate is 258.16 g/mol.
Where can I buy Isobornyl benzoate?
You can request a quote for Isobornyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobornyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Isobornyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.