4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester
TL;DR: 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester (CAS 68039-79-2) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl tricyclo[5.2.1.02,6]decane-3-carboxylate
Also Known As: Methyl octahydro-4,7-methano-1H-indenecarboxylate, Methyl tricyclo(5.2.1.02,6)decane-3(4)-carboxylate, methyl tricyclo[5.2.1.02,6]decane-3-carboxylate, methyloctahydro-4,7-methano-1H-indenecarboxylate, 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 68039-79-2 |
|---|---|
| SMILES | COC(=O)C1CCC2C1C3CCC2C3 |
| InChIKey | VFUFLBSJNLHZJW-UHFFFAOYSA-N |
Product Overview
4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester (CAS 68039-79-2), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: methyl tricyclo[5.2.1.02,6]decane-3-carboxylate.
Chemical Property Profile of 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester
Property Insights of 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester
The XLogP value of 3.0 indicates that 4,7-Methano-1H-indenecarboxylic acid, octahydro-, 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, 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Methano-1H-indenecarboxylic acid, octahydro-, 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 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester?
The CAS number of 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester is 68039-79-2.
What is the molecular formula of 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester?
The molecular formula of 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester is C12H18O2.
What is the molecular weight of 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester?
The molecular weight of 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester is 194.13 g/mol.
Where can I buy 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester?
You can request a quote for 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.