Methyl 1-tert-butyl-2-azetidinecarboxylate
TL;DR: Methyl 1-tert-butyl-2-azetidinecarboxylate (CAS 18085-32-0) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-tert-butylazetidine-2-carboxylate
Also Known As: methyl 1-tert-butylazetidine-2-carboxylate, Methyl 1-tert-butyl-2-azetidinecarboxylate, Methyl 1-(tert-butyl)azetidine-2-carboxylate, N-tert-butyl-2-carbomethoxyazetidine, N-Tert.-butyl-2-carbomethoxyazetidine
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 18085-32-0 |
|---|---|
| SMILES | CC(C)(C)N1CCC1C(=O)OC |
| InChIKey | ZNMJVYVCCXSTAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-tert-butyl-2-azetidinecarboxylate (CAS 18085-32-0), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: methyl 1-tert-butylazetidine-2-carboxylate.
Chemical Property Profile of Methyl 1-tert-butyl-2-azetidinecarboxylate
Property Insights of Methyl 1-tert-butyl-2-azetidinecarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-tert-butyl-2-azetidinecarboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl 1-tert-butyl-2-azetidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-tert-butyl-2-azetidinecarboxylate 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-tert-butyl-2-azetidinecarboxylate?
The CAS number of Methyl 1-tert-butyl-2-azetidinecarboxylate is 18085-32-0.
What is the molecular formula of Methyl 1-tert-butyl-2-azetidinecarboxylate?
The molecular formula of Methyl 1-tert-butyl-2-azetidinecarboxylate is C9H17NO2.
What is the molecular weight of Methyl 1-tert-butyl-2-azetidinecarboxylate?
The molecular weight of Methyl 1-tert-butyl-2-azetidinecarboxylate is 171.13 g/mol.
Where can I buy Methyl 1-tert-butyl-2-azetidinecarboxylate?
You can request a quote for Methyl 1-tert-butyl-2-azetidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-tert-butyl-2-azetidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-tert-butyl-2-azetidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.