3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole
TL;DR: 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole (CAS 333430-88-9) is a chemical compound with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole
Also Known As: 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole, 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)benzo[c]isoxazole, 7H-922, AB01330149-02, 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzisoxazole
| Molecular Formula | C16H12ClNO3 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 4.1936 |
| Topological Polar Surface Area | 44.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.05057 |
| Heavy Atoms | 21 |
| Complexity | 775.82135 |
Chemical Identifiers
| CAS Number | 333430-88-9 |
|---|---|
| SMILES | C1COC(O1)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Cl |
Product Overview
3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole (CAS 333430-88-9), with molecular formula C16H12ClNO3 and molecular weight 301.05 g/mol. IUPAC: 3-(4-chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole.
Chemical Property Profile of 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole
Property Insights of 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole
The XLogP value of 4.1936 indicates that 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-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, 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-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 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole?
The CAS number of 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole is 333430-88-9.
What is the molecular formula of 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole?
The molecular formula of 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole is C16H12ClNO3.
What is the molecular weight of 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole?
The molecular weight of 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole is 301.05 g/mol.
Where can I buy 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole?
You can request a quote for 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-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 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-5-(1,3-dioxolan-2-yl)-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.