Methyl 2-chloroadamantane-1-carboxylate
TL;DR: Methyl 2-chloroadamantane-1-carboxylate (CAS 103549-34-4) is a chemical compound with molecular formula C12H17ClO2 and molecular weight 228.0917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-chloroadamantane-1-carboxylate
Also Known As: methyl 2-chloroadamantane-1-carboxylate, Methyl2-chloro-1-adamantanecarboxylate, 2-Chlorotricyclo(3.3.1.13,7decane-1-carboxylic acid, methyl ester, 2-Chlorotricyclo[3.3.1.13,7decane-1-carboxylic acid, methyl ester, Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 2-chloro-, methyl ester
Technical Specifications
| Molecular Formula | C12H17ClO2 |
| Molecular Weight | 228.0917 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.0917 Da |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
| SMILES | COC(=O)C12CC3CC(C1)CC(C3)C2Cl |
| InChIKey | YBOYZNLGOLWXPZ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-chloroadamantane-1-carboxylate
Property Insights of Methyl 2-chloroadamantane-1-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-chloroadamantane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-chloroadamantane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloroadamantane-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 2-chloroadamantane-1-carboxylate?
The CAS number of Methyl 2-chloroadamantane-1-carboxylate is 103549-34-4.
What is the molecular formula of Methyl 2-chloroadamantane-1-carboxylate?
The molecular formula of Methyl 2-chloroadamantane-1-carboxylate is C12H17ClO2.
What is the molecular weight of Methyl 2-chloroadamantane-1-carboxylate?
The molecular weight of Methyl 2-chloroadamantane-1-carboxylate is 228.0917 g/mol.
Where can I buy Methyl 2-chloroadamantane-1-carboxylate?
You can request a quote for Methyl 2-chloroadamantane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-chloroadamantane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-chloroadamantane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.