Methyl 1-benzylazetidine-2-carboxylate
TL;DR: Methyl 1-benzylazetidine-2-carboxylate (CAS 205443-23-8) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzylazetidine-2-carboxylate
Also Known As: Methyl 1-benzylazetidine-2-carboxylate, null, Methyl1-benzylazetidine-2-carboxylate, 2-Azetidinecarboxylic acid, 1-(phenylmethyl)-, methyl ester, methyl (2R)-1-benzylazetidine-2-carboxylate
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.4339 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 336.73517 |
Chemical Identifiers
| CAS Number | 205443-23-8 |
|---|---|
| SMILES | COC(=O)C1CCN1CC2=CC=CC=C2 |
Product Overview
Methyl 1-benzylazetidine-2-carboxylate (CAS 205443-23-8), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: methyl 1-benzylazetidine-2-carboxylate.
Chemical Property Profile of Methyl 1-benzylazetidine-2-carboxylate
Property Insights of Methyl 1-benzylazetidine-2-carboxylate
The XLogP value of 1.4339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-benzylazetidine-2-carboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, Methyl 1-benzylazetidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-benzylazetidine-2-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 1-benzylazetidine-2-carboxylate?
The CAS number of Methyl 1-benzylazetidine-2-carboxylate is 205443-23-8.
What is the molecular formula of Methyl 1-benzylazetidine-2-carboxylate?
The molecular formula of Methyl 1-benzylazetidine-2-carboxylate is C12H15NO2.
What is the molecular weight of Methyl 1-benzylazetidine-2-carboxylate?
The molecular weight of Methyl 1-benzylazetidine-2-carboxylate is 205.11 g/mol.
Where can I buy Methyl 1-benzylazetidine-2-carboxylate?
You can request a quote for Methyl 1-benzylazetidine-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 1-benzylazetidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-benzylazetidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.