Isopropyl 1-methyl-2-azetidinecarboxylate
TL;DR: Isopropyl 1-methyl-2-azetidinecarboxylate (CAS 51764-30-8) is a chemical compound with molecular formula C8H15NO2 and molecular weight 157.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 1-methylazetidine-2-carboxylate
Also Known As: Isopropyl 1-methyl-2-azetidinecarboxylate, propan-2-yl 1-methylazetidine-2-carboxylate, N-Methyl-2-isopropoxycarbonylazetidine, Isopropyl1-methyl-2-azetidinecarboxylate, isopropyl 1-methylazetidine-2-carboxylate
| Molecular Formula | C8H15NO2 |
|---|---|
| Molecular Weight | 157.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.11028 |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 51764-30-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1CCN1C |
| InChIKey | FFSVJGLBWUNEBE-UHFFFAOYSA-N |
Product Overview
Isopropyl 1-methyl-2-azetidinecarboxylate (CAS 51764-30-8), with molecular formula C8H15NO2 and molecular weight 157.11 g/mol. IUPAC: propan-2-yl 1-methylazetidine-2-carboxylate.
Chemical Property Profile of Isopropyl 1-methyl-2-azetidinecarboxylate
Property Insights of Isopropyl 1-methyl-2-azetidinecarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 1-methyl-2-azetidinecarboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Isopropyl 1-methyl-2-azetidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 1-methyl-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 Isopropyl 1-methyl-2-azetidinecarboxylate?
The CAS number of Isopropyl 1-methyl-2-azetidinecarboxylate is 51764-30-8.
What is the molecular formula of Isopropyl 1-methyl-2-azetidinecarboxylate?
The molecular formula of Isopropyl 1-methyl-2-azetidinecarboxylate is C8H15NO2.
What is the molecular weight of Isopropyl 1-methyl-2-azetidinecarboxylate?
The molecular weight of Isopropyl 1-methyl-2-azetidinecarboxylate is 157.11 g/mol.
Where can I buy Isopropyl 1-methyl-2-azetidinecarboxylate?
You can request a quote for Isopropyl 1-methyl-2-azetidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 1-methyl-2-azetidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 1-methyl-2-azetidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.