1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate
TL;DR: 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate (CAS 76-50-6) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19 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) 3-methylbutanoate
Also Known As: Isobornyl isovalerate, Bornyval, BORNYL ISOVALERATE, Hysterol, 2-Bornyl isovalerate
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 76-50-6 |
|---|---|
| SMILES | CC(C)CC(=O)OC1CC2CCC1(C2(C)C)C |
| InChIKey | MPYYVGIJHREDBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate (CAS 76-50-6), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 3-methylbutanoate.
Chemical Property Profile of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate
Property Insights of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate
The XLogP value of 4.6 indicates that 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate 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 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate?
The CAS number of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate is 76-50-6.
What is the molecular formula of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate?
The molecular formula of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate is C15H26O2.
What is the molecular weight of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate?
The molecular weight of 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate is 238.19 g/mol.
Where can I buy 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate?
You can request a quote for 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl 3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.