3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole
TL;DR: 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole (CAS 313261-50-6) is a chemical compound with molecular formula C13H7ClINO and molecular weight 354.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-iodo-2,1-benzoxazole
Also Known As: 3-(4-chlorophenyl)-5-iodo-2,1-benzoxazole, 3-(4-chlorophenyl)-5-iodobenzo[c]isoxazole, BAS 00705142, 3-(4-chlorophenyl)-5-iodo-2,1-benzisoxazole, 3-(4-Chloro-phenyl)-5-iodo-benzo[c]isoxazole
| Molecular Formula | C13H7ClINO |
|---|---|
| Molecular Weight | 354.93 g/mol |
| LogP | 4.7528 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.9261 |
| Heavy Atoms | 17 |
| Complexity | 675.4523 |
Chemical Identifiers
| CAS Number | 313261-50-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)I)Cl |
Product Overview
3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole (CAS 313261-50-6), with molecular formula C13H7ClINO and molecular weight 354.93 g/mol. IUPAC: 3-(4-chlorophenyl)-5-iodo-2,1-benzoxazole.
Chemical Property Profile of 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole
Property Insights of 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole
The XLogP value of 4.7528 indicates that 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole has 0 hydrogen bond donor(s) and 2 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-iodo-2,1-benzoxazole?
The CAS number of 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole is 313261-50-6.
What is the molecular formula of 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole?
The molecular formula of 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole is C13H7ClINO.
What is the molecular weight of 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole?
The molecular weight of 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole is 354.93 g/mol.
Where can I buy 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole?
You can request a quote for 3-(4-Chlorophenyl)-5-iodo-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-iodo-2,1-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-5-iodo-2,1-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.