Exo-bornyl butyrate
TL;DR: Exo-bornyl butyrate (CAS 58479-55-3) 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)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] butanoate
Also Known As: exo-Bornyl butyrate, Isobornyl butyrate, [(1R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] butanoate, N-(2-bromophenyl)-2-piperidin-1-ylacetamide, [(1R)-4,7,7-trimethylnorbornan-2-yl] butanoate
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 58479-55-3 |
|---|---|
| SMILES | CCCC(=O)OC1CC2(CC[C@@H]1C2(C)C)C |
| InChIKey | ALPQPFVDVBJLHC-IFQILLTASA-N |
Product Overview
Exo-bornyl butyrate (CAS 58479-55-3), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: [(1R)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] butanoate.
Chemical Property Profile of Exo-bornyl butyrate
Property Insights of Exo-bornyl butyrate
The XLogP value of 3.9 indicates that Exo-bornyl butyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Exo-bornyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Exo-bornyl butyrate 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 Exo-bornyl butyrate?
The CAS number of Exo-bornyl butyrate is 58479-55-3.
What is the molecular formula of Exo-bornyl butyrate?
The molecular formula of Exo-bornyl butyrate is C14H24O2.
What is the molecular weight of Exo-bornyl butyrate?
The molecular weight of Exo-bornyl butyrate is 224.18 g/mol.
Where can I buy Exo-bornyl butyrate?
You can request a quote for Exo-bornyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exo-bornyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for Exo-bornyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.