![(1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid structure](/static/products/5809/58096-29-0.webp)
(1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
TL;DR: (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid (CAS 58096-29-0) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
Also Known As: (1r,2r,3r,5s)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid, (-)-Pinane-3-carboxylic acid, (1R,2R,3R,5S)-2,6,6-trimethylnorpinane-3-carboxylic acid, [1r-]-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylicacid, (1R-(1alpha,2beta,3alpha,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptane-3-carboxylic acid
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 58096-29-0 |
|---|---|
| SMILES | C[C@H]1[C@@H](C[C@@H]2C[C@H]1C2(C)C)C(=O)O |
| InChIKey | YCJJWXPLEWSYFQ-JQCXWYLXSA-N |
Product Overview
(1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid (CAS 58096-29-0), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: (1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxylic acid.
Chemical Property Profile of (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
Property Insights of (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid has 1 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 (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid?
The CAS number of (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid is 58096-29-0.
What is the molecular formula of (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid?
The molecular formula of (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid is C11H18O2.
What is the molecular weight of (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid?
The molecular weight of (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid is 182.13 g/mol.
Where can I buy (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid?
You can request a quote for (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1r,2r,3r,5s)-2,6,6-Trimethylbicyclo[3.1.1]heptane-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.