![Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester structure](/static/products/3106/31061-61-7.webp)
Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester
TL;DR: Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester (CAS 31061-61-7) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl tricyclo[4.3.1.13,8]undecane-3-carboxylate
Also Known As: Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester, Methyl tricyclo[4.3.1.13,8]undecane-3-carboxylate
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 31061-61-7 |
|---|---|
| SMILES | COC(=O)C12CCC3CC(C1)CC(C3)C2 |
| InChIKey | BZBQOQSFEJSCGM-UHFFFAOYSA-N |
Product Overview
Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester (CAS 31061-61-7), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: methyl tricyclo[4.3.1.13,8]undecane-3-carboxylate.
Chemical Property Profile of Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester
Property Insights of Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester
The XLogP value of 3.2 indicates that Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl 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, Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl 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 Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester?
The CAS number of Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester is 31061-61-7.
What is the molecular formula of Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester?
The molecular formula of Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester is C13H20O2.
What is the molecular weight of Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester?
The molecular weight of Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester is 208.15 g/mol.
Where can I buy Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester?
You can request a quote for Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Tricyclo[4.3.1.1(3,8)]undecane-3-carboxylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.