Methyl bicyclo(2.2.1)heptane-1-carboxylate
TL;DR: Methyl bicyclo(2.2.1)heptane-1-carboxylate (CAS 2287-57-2) is a chemical compound with molecular formula COC(=O)C12CCC(C1)CC2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl bicyclo[2.2.1]heptane-1-carboxylate
Also Known As: Methyl norbornane-1-carboxylate, Methyl bicyclo(2.2.1)heptane-1-carboxylate, methyl bicyclo[2.2.1]heptane-1-carboxylate, methyl norbornane monocarboxylate, Norbornan-1-carbonsaeure-methylester
| Molecular Formula | COC(=O)C12CCC(C1)CC2 |
|---|---|
| Molecular Weight | 154.10 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 | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 2287-57-2 |
|---|---|
| SMILES | COC(=O)C12CCC(C1)CC2 |
| InChIKey | ICBCULSDMSBNNZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl bicyclo(2.2.1)heptane-1-carboxylate (CAS 2287-57-2), with molecular formula COC(=O)C12CCC(C1)CC2 and molecular weight 154.10 g/mol. IUPAC: methyl bicyclo[2.2.1]heptane-1-carboxylate.
Chemical Property Profile of Methyl bicyclo(2.2.1)heptane-1-carboxylate
Property Insights of Methyl bicyclo(2.2.1)heptane-1-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl bicyclo(2.2.1)heptane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl bicyclo(2.2.1)heptane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl bicyclo(2.2.1)heptane-1-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 bicyclo(2.2.1)heptane-1-carboxylate?
The CAS number of Methyl bicyclo(2.2.1)heptane-1-carboxylate is 2287-57-2.
What is the molecular formula of Methyl bicyclo(2.2.1)heptane-1-carboxylate?
The molecular formula of Methyl bicyclo(2.2.1)heptane-1-carboxylate is COC(=O)C12CCC(C1)CC2.
What is the molecular weight of Methyl bicyclo(2.2.1)heptane-1-carboxylate?
The molecular weight of Methyl bicyclo(2.2.1)heptane-1-carboxylate is 154.10 g/mol.
Where can I buy Methyl bicyclo(2.2.1)heptane-1-carboxylate?
You can request a quote for Methyl bicyclo(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 bicyclo(2.2.1)heptane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl bicyclo(2.2.1)heptane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.