![trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate structure](/static/products/631/63116-47-2.png)
trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate
TL;DR: trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate (CAS 63116-47-2) is a chemical compound with molecular formula C14H20O6 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate
Also Known As: (2S,3S)-trimethyl bicyclo[2.2.2]octane-1,2,3-tricarboxylate, trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate, trimethyl (2S,3S)-bicyclo[2.2.2]octane-2,3,4-tricarboxylate
| Molecular Formula | C14H20O6 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.12598 |
| Heavy Atoms | 20 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 63116-47-2 |
|---|---|
| SMILES | COC(=O)[C@@H]1[C@@H](C2(CCC1CC2)C(=O)OC)C(=O)OC |
| InChIKey | MDPKZRDUBKFHIH-HVWMPWFPSA-N |
Product Overview
trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate (CAS 63116-47-2), with molecular formula C14H20O6 and molecular weight 284.13 g/mol. IUPAC: trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate.
Chemical Property Profile of trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate
Property Insights of trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate. Following Lipinski's Rule of Five, trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate has 0 hydrogen bond donor(s) and 6 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 trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate?
The CAS number of trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate is 63116-47-2.
What is the molecular formula of trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate?
The molecular formula of trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate is C14H20O6.
What is the molecular weight of trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate?
The molecular weight of trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate is 284.13 g/mol.
Where can I buy trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate?
You can request a quote for trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for trimethyl (2S,3S)-bicyclo[2.2.2]octane-1,2,3-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.