Bornyl benzoate
TL;DR: Bornyl benzoate (CAS 26927-90-2) 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.
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate
Also Known As: Bornyl benzoate, Benzoesaeure-dl-isobornylester, Benzoic acid (1S,4S)-bornan-2alpha-yl ester, Benzoic acid (1S,2R,4S)-bornane-2-yl ester, (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl benzoate
| Molecular Formula | C17H22O2 |
|---|---|
| Molecular Weight | 258.16 g/mol |
| LogP | 4.0582 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.162 |
| Heavy Atoms | 19 |
| Complexity | 491.24335 |
Chemical Identifiers
| CAS Number | 26927-90-2 |
|---|---|
| SMILES | C[C@]12CC[C@H](C1(C)C)C[C@H]2OC(=O)C3=CC=CC=C3 |
Product Overview
Bornyl benzoate (CAS 26927-90-2), with molecular formula C17H22O2 and molecular weight 258.16 g/mol. IUPAC: [(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate.
Chemical Property Profile of Bornyl benzoate
Property Insights of Bornyl benzoate
The XLogP value of 4.0582 indicates that Bornyl 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, Bornyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bornyl 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 Bornyl benzoate?
The CAS number of Bornyl benzoate is 26927-90-2.
What is the molecular formula of Bornyl benzoate?
The molecular formula of Bornyl benzoate is C17H22O2.
What is the molecular weight of Bornyl benzoate?
The molecular weight of Bornyl benzoate is 258.16 g/mol.
Where can I buy Bornyl benzoate?
You can request a quote for Bornyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bornyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for Bornyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.