Methyl 1-benzhydrylazetidine-2-carboxylate
TL;DR: Methyl 1-benzhydrylazetidine-2-carboxylate (CAS 33887-08-0) is a chemical compound with molecular formula C18H19NO2 and molecular weight 281.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzhydrylazetidine-2-carboxylate
Also Known As: methyl 1-benzhydrylazetidine-2-carboxylate, methyl1-benzhydrylazetidine-2-carboxylate, methyl 1-(diphenylmethyl)azetidine-2-carboxylate, 3953AB, methyl n-benzhydrylazetidine-2-carboxylate
| Molecular Formula | C18H19NO2 |
|---|---|
| Molecular Weight | 281.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.14157 |
| Heavy Atoms | 21 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 33887-08-0 |
|---|---|
| SMILES | COC(=O)C1CCN1C(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | COVUSEPDCOAOTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 1-benzhydrylazetidine-2-carboxylate (CAS 33887-08-0), with molecular formula C18H19NO2 and molecular weight 281.14 g/mol. IUPAC: methyl 1-benzhydrylazetidine-2-carboxylate.
Chemical Property Profile of Methyl 1-benzhydrylazetidine-2-carboxylate
Property Insights of Methyl 1-benzhydrylazetidine-2-carboxylate
The XLogP value of 3.5 indicates that Methyl 1-benzhydrylazetidine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl 1-benzhydrylazetidine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-benzhydrylazetidine-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-benzhydrylazetidine-2-carboxylate?
The CAS number of Methyl 1-benzhydrylazetidine-2-carboxylate is 33887-08-0.
What is the molecular formula of Methyl 1-benzhydrylazetidine-2-carboxylate?
The molecular formula of Methyl 1-benzhydrylazetidine-2-carboxylate is C18H19NO2.
What is the molecular weight of Methyl 1-benzhydrylazetidine-2-carboxylate?
The molecular weight of Methyl 1-benzhydrylazetidine-2-carboxylate is 281.14 g/mol.
Where can I buy Methyl 1-benzhydrylazetidine-2-carboxylate?
You can request a quote for Methyl 1-benzhydrylazetidine-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-benzhydrylazetidine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-benzhydrylazetidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.