Methyl 1-benzylaziridine-2-carboxylate
TL;DR: Methyl 1-benzylaziridine-2-carboxylate (CAS 21384-53-2) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzylaziridine-2-carboxylate
Also Known As: methyl 1-benzylaziridine-2-carboxylate, 1-Benzyl-2-carbomethoxyaziridine, Methyl 1-benzyl-2-aziridinecarboxylate, methyl1-benzylaziridine-2-carboxylate, 1-Benzyl-aziridine-2-carboxylic acid
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 21384-53-2 |
|---|---|
| SMILES | COC(=O)C1CN1CC2=CC=CC=C2 |
| InChIKey | QBIVBBBSVOOSSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-benzylaziridine-2-carboxylate (CAS 21384-53-2), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: methyl 1-benzylaziridine-2-carboxylate.
Chemical Property Profile of Methyl 1-benzylaziridine-2-carboxylate
Property Insights of Methyl 1-benzylaziridine-2-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-benzylaziridine-2-carboxylate. With a topological polar surface area (TPSA) of 29.3 Ų, Methyl 1-benzylaziridine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-benzylaziridine-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-benzylaziridine-2-carboxylate?
The CAS number of Methyl 1-benzylaziridine-2-carboxylate is 21384-53-2.
What is the molecular formula of Methyl 1-benzylaziridine-2-carboxylate?
The molecular formula of Methyl 1-benzylaziridine-2-carboxylate is C11H13NO2.
What is the molecular weight of Methyl 1-benzylaziridine-2-carboxylate?
The molecular weight of Methyl 1-benzylaziridine-2-carboxylate is 191.09 g/mol.
Where can I buy Methyl 1-benzylaziridine-2-carboxylate?
You can request a quote for Methyl 1-benzylaziridine-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-benzylaziridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-benzylaziridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.