![Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate structure](/static/products/906/90673-79-3.png)
Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate
TL;DR: Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate (CAS 90673-79-3) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate
Also Known As: Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate, 1-Norbornanecarboxylic acid, 7-oxo-, methyl ester, methyl 7-oxobicyclo[2.2.1]heptane-4-carboxylate, Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate #
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 90673-79-3 |
|---|---|
| SMILES | COC(=O)C12CCC(C1=O)CC2 |
| InChIKey | LPZJNXYNKCCAHM-UHFFFAOYSA-N |
Product Overview
Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate (CAS 90673-79-3), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate.
Chemical Property Profile of Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate
Property Insights of Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate 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 Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate?
The CAS number of Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate is 90673-79-3.
What is the molecular formula of Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate?
The molecular formula of Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate is C9H12O3.
What is the molecular weight of Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate?
The molecular weight of Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate is 168.08 g/mol.
Where can I buy Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate?
You can request a quote for Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-oxobicyclo[2.2.1]heptane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.