1-Benzhydrylazetidin-3-yl 2-cyanoacetate
TL;DR: 1-Benzhydrylazetidin-3-yl 2-cyanoacetate (CAS 116574-14-2) is a chemical compound with molecular formula C19H18N2O2 and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzhydrylazetidin-3-yl) 2-cyanoacetate
Also Known As: 1-Benzhydrylazetidin-3-yl 2-cyanoacetate, Azelnidipine Impurity 19, (1-benzhydrylazetidin-3-yl) 2-cyanoacetate, 1-Benzhydrylazetidin-3-ylcyanoacetate, 2-Cyanoacetic acid 1-(diphenylmethyl)-3-azetidinyl ester
| Molecular Formula | C19H18N2O2 |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 2.91708 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.13684 |
| Heavy Atoms | 23 |
| Complexity | 648.81445 |
Chemical Identifiers
| CAS Number | 116574-14-2 |
|---|---|
| SMILES | C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)CC#N |
Product Overview
1-Benzhydrylazetidin-3-yl 2-cyanoacetate (CAS 116574-14-2), with molecular formula C19H18N2O2 and molecular weight 306.14 g/mol. IUPAC: (1-benzhydrylazetidin-3-yl) 2-cyanoacetate.
Chemical Property Profile of 1-Benzhydrylazetidin-3-yl 2-cyanoacetate
Property Insights of 1-Benzhydrylazetidin-3-yl 2-cyanoacetate
The XLogP value of 2.91708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzhydrylazetidin-3-yl 2-cyanoacetate. With a topological polar surface area (TPSA) of 53.33 Ų, 1-Benzhydrylazetidin-3-yl 2-cyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzhydrylazetidin-3-yl 2-cyanoacetate has 0 hydrogen bond donor(s) and 4 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 1-Benzhydrylazetidin-3-yl 2-cyanoacetate?
The CAS number of 1-Benzhydrylazetidin-3-yl 2-cyanoacetate is 116574-14-2.
What is the molecular formula of 1-Benzhydrylazetidin-3-yl 2-cyanoacetate?
The molecular formula of 1-Benzhydrylazetidin-3-yl 2-cyanoacetate is C19H18N2O2.
What is the molecular weight of 1-Benzhydrylazetidin-3-yl 2-cyanoacetate?
The molecular weight of 1-Benzhydrylazetidin-3-yl 2-cyanoacetate is 306.14 g/mol.
Where can I buy 1-Benzhydrylazetidin-3-yl 2-cyanoacetate?
You can request a quote for 1-Benzhydrylazetidin-3-yl 2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzhydrylazetidin-3-yl 2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzhydrylazetidin-3-yl 2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.