![Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester structure](/static/products/6784/67845-31-2.webp)
Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester
TL;DR: Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester (CAS 67845-31-2) 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.
(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) butanoate
Also Known As: 1,3,3-Trimethyl-2-norbornyl butyrate, Butyric acid, 1,3,3-trimethylbicyclo(2.2.1)hept-2-yl ester, Butanoic acid, 1,3,3-trimethylbicyclo(2.2.1)hept-2-yl ester, Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester, 1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-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 | 67845-31-2 |
|---|---|
| SMILES | CCCC(=O)OC1C(C2CCC1(C2)C)(C)C |
| InChIKey | CQNXIFHRYNSUGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester (CAS 67845-31-2), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) butanoate.
Chemical Property Profile of Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester
Property Insights of Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester
The XLogP value of 3.9 indicates that Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester 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 Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester?
The CAS number of Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester is 67845-31-2.
What is the molecular formula of Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester?
The molecular formula of Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester is C14H24O2.
What is the molecular weight of Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester?
The molecular weight of Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester is 224.18 g/mol.
Where can I buy Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester?
You can request a quote for Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.