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Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate
TL;DR: Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate (CAS 33101-04-1) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl tricyclo[3.2.2.01,5]nonane-6-carboxylate
Also Known As: Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 33101-04-1 |
|---|---|
| SMILES | COC(=O)C1CC23C1(CCC2)CC3 |
| InChIKey | GNGRRAWFNMELKJ-UHFFFAOYSA-N |
Product Overview
Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate (CAS 33101-04-1), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: methyl tricyclo[3.2.2.01,5]nonane-6-carboxylate.
Chemical Property Profile of Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate
Property Insights of Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate 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 Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate?
The CAS number of Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate is 33101-04-1.
What is the molecular formula of Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate?
The molecular formula of Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate is C11H16O2.
What is the molecular weight of Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate?
The molecular weight of Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate is 180.12 g/mol.
Where can I buy Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate?
You can request a quote for Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl tricyclo[3.2.2.0~1,5~]nonane-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.