Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate
TL;DR: Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate (CAS 17660-75-2) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
Also Known As: Methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate, Bicyclo<2.2.2>oct-7-en-2,5-dion, Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate, methyl 2-methylbicyclo[2.2.1]hept-5-ene-3-carboxylate, Methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate #
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 17660-75-2 |
|---|---|
| SMILES | CC1C2CC(C1C(=O)OC)C=C2 |
| InChIKey | NCDNOKVFSOMXCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate (CAS 17660-75-2), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
Chemical Property Profile of Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate
Property Insights of Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-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 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate?
The CAS number of Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate is 17660-75-2.
What is the molecular formula of Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate?
The molecular formula of Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate is C10H14O2.
What is the molecular weight of Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate?
The molecular weight of Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate is 166.10 g/mol.
Where can I buy Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate?
You can request a quote for Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methylbicyclo(2.2.1)hept-5-ene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.