![1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate structure](/static/products/5553/55538-61-9.webp)
1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate
TL;DR: 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate (CAS 55538-61-9) 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.
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) pentanoate
Also Known As: 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate, 1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl pentanoate, 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl valerate, (2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl) pentanoate, 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate #
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 55538-61-9 |
|---|---|
| SMILES | CCCCC(=O)OC1C(C2CCC1(C2)C)(C)C |
| InChIKey | ZNDQBRJIQWIGOF-UHFFFAOYSA-N |
Product Overview
1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate (CAS 55538-61-9), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) pentanoate.
Chemical Property Profile of 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate
Property Insights of 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate
The XLogP value of 4.5 indicates that 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate 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 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate?
The CAS number of 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate is 55538-61-9.
What is the molecular formula of 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate?
The molecular formula of 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate is C15H26O2.
What is the molecular weight of 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate?
The molecular weight of 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate is 238.19 g/mol.
Where can I buy 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate?
You can request a quote for 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.