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Methyl bicyclo[1.1.1]pentane-1-carboxylate
TL;DR: Methyl bicyclo[1.1.1]pentane-1-carboxylate (CAS 106813-54-1) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl bicyclo[1.1.1]pentane-1-carboxylate
Also Known As: methyl bicyclo[1.1.1]pentane-1-carboxylate, Bicyclo[1.1.1]pentane-1-carboxylic acid, methyl ester (9CI), methylbicyclo[1.1.1]pentane-1-carboxylate, methyl bicyclo[1.1.1]pentane-3-carboxylate, methyl bicyclo[1.1.1]pentane-1-car boxylate
Technical Specifications
| Molecular Formula | C7H10O2 |
| Molecular Weight | 126.06808 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.06808 Da |
| Heavy Atoms | 9 |
| Complexity | 145.0 |
| SMILES | COC(=O)C12CC(C1)C2 |
| InChIKey | JLFOFQQASSASLV-UHFFFAOYSA-N |
Chemical Property Profile of Methyl bicyclo[1.1.1]pentane-1-carboxylate
Property Insights of Methyl bicyclo[1.1.1]pentane-1-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl bicyclo[1.1.1]pentane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl bicyclo[1.1.1]pentane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl bicyclo[1.1.1]pentane-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
What is the CAS number of Methyl bicyclo[1.1.1]pentane-1-carboxylate?
The CAS number of Methyl bicyclo[1.1.1]pentane-1-carboxylate is 106813-54-1.
What is the molecular formula of Methyl bicyclo[1.1.1]pentane-1-carboxylate?
The molecular formula of Methyl bicyclo[1.1.1]pentane-1-carboxylate is C7H10O2.
What is the molecular weight of Methyl bicyclo[1.1.1]pentane-1-carboxylate?
The molecular weight of Methyl bicyclo[1.1.1]pentane-1-carboxylate is 126.06808 g/mol.
Where can I buy Methyl bicyclo[1.1.1]pentane-1-carboxylate?
You can request a quote for Methyl bicyclo[1.1.1]pentane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl bicyclo[1.1.1]pentane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl bicyclo[1.1.1]pentane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.