5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole
TL;DR: 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole (CAS 37104-08-8) is a chemical compound with molecular formula C16H13NO3 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-dioxolan-2-yl)-3-phenyl-2,1-benzoxazole
Also Known As: 5-(1,3-dioxolan-2-yl)-3-phenyl-2,1-benzoxazole, Bionet2_000892, 5-(1,3-dioxolan-2-yl)-3-phenylbenzo[c]isoxazole, 5-(1,3-dioxolan-2-yl)-3-phenyl-2,1-benzisoxazole, BAS 00364760
| Molecular Formula | C16H13NO3 |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 3.5402 |
| Topological Polar Surface Area | 44.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.08954 |
| Heavy Atoms | 20 |
| Complexity | 729.8216 |
Chemical Identifiers
| CAS Number | 37104-08-8 |
|---|---|
| SMILES | C1COC(O1)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4 |
Product Overview
5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole (CAS 37104-08-8), with molecular formula C16H13NO3 and molecular weight 267.09 g/mol. IUPAC: 5-(1,3-dioxolan-2-yl)-3-phenyl-2,1-benzoxazole.
Chemical Property Profile of 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole
Property Insights of 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole
The XLogP value of 3.5402 indicates that 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.49 Ų, 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole 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 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole?
The CAS number of 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole is 37104-08-8.
What is the molecular formula of 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole?
The molecular formula of 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole is C16H13NO3.
What is the molecular weight of 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole?
The molecular weight of 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole is 267.09 g/mol.
Where can I buy 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole?
You can request a quote for 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Dioxolan-2-yl)-3-phenyl-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.