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Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate
TL;DR: Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate (CAS 31698-46-1) is a chemical compound with molecular formula C9H15O3P and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-dimethoxyphosphoryltricyclo[2.2.1.02,6]heptane
Also Known As: dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate, Phosphonic acid,6]hept-3-yl-, dimethyl ester, 3-Dimethylphospono-tricyclo<1.1.1.02.6>heptan, dimethyl {tricyclo[2.2.1.02,6]heptan-3-yl}phosphonate, Dimethyl tricyclo[2.2.1.0~2,6~]heptan-3-ylphosphonate
| Molecular Formula | C9H15O3P |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.07588 |
| Heavy Atoms | 13 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 31698-46-1 |
|---|---|
| SMILES | COP(=O)(C1C2CC3C1C3C2)OC |
| InChIKey | LNJZOUNKFXDNDY-UHFFFAOYSA-N |
Product Overview
Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate (CAS 31698-46-1), with molecular formula C9H15O3P and molecular weight 202.08 g/mol. IUPAC: 3-dimethoxyphosphoryltricyclo[2.2.1.02,6]heptane.
Chemical Property Profile of Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate
Property Insights of Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate has 0 hydrogen bond donor(s) and 3 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 Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate?
The CAS number of Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate is 31698-46-1.
What is the molecular formula of Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate?
The molecular formula of Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate is C9H15O3P.
What is the molecular weight of Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate?
The molecular weight of Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate is 202.08 g/mol.
Where can I buy Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate?
You can request a quote for Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.