Isobornyl isobutyrate
TL;DR: Isobornyl isobutyrate (CAS 85586-67-0) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate
Also Known As: Isobornyl isobutyrate, Bornyl isobutyrate, isobornylisobutyrate, Isobornyl 2-methylpropionate, FEMA NO. 4146
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 85586-67-0 |
|---|---|
| SMILES | CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C |
| InChIKey | KRKIAJBQOUBNSE-GYSYKLTISA-N |
Product Overview
Isobornyl isobutyrate (CAS 85586-67-0), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylpropanoate.
Chemical Property Profile of Isobornyl isobutyrate
Property Insights of Isobornyl isobutyrate
The XLogP value of 4.3 indicates that Isobornyl isobutyrate 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 isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobornyl isobutyrate 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 isobutyrate?
The CAS number of Isobornyl isobutyrate is 85586-67-0.
What is the molecular formula of Isobornyl isobutyrate?
The molecular formula of Isobornyl isobutyrate is C14H24O2.
What is the molecular weight of Isobornyl isobutyrate?
The molecular weight of Isobornyl isobutyrate is 224.18 g/mol.
Where can I buy Isobornyl isobutyrate?
You can request a quote for Isobornyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobornyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Isobornyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.