![5-Iodo-3-phenylbenzo[c]isoxazole structure](/static/products/100/100675-99-8.png)
5-Iodo-3-phenylbenzo[c]isoxazole
TL;DR: 5-Iodo-3-phenylbenzo[c]isoxazole (CAS 100675-99-8) is a chemical compound with molecular formula C13H8INO and molecular weight 320.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iodo-3-phenyl-2,1-benzoxazole
Also Known As: 5-iodo-3-phenylbenzo[c]isoxazole, 5-iodo-3-phenyl-2,1-benzoxazole, 5-iodo-3-phenylanthranil, 5-Iodo-3-phenyl-benzo[c]isoxazole, 5-iodo-3-phenyl-2,1-benzisoxazole
| Molecular Formula | C13H8INO |
|---|---|
| Molecular Weight | 320.97 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.96506 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 100675-99-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)I |
| InChIKey | RBHYLYKASMWRRM-UHFFFAOYSA-N |
Product Overview
5-Iodo-3-phenylbenzo[c]isoxazole (CAS 100675-99-8), with molecular formula C13H8INO and molecular weight 320.97 g/mol. IUPAC: 5-iodo-3-phenyl-2,1-benzoxazole.
Chemical Property Profile of 5-Iodo-3-phenylbenzo[c]isoxazole
Property Insights of 5-Iodo-3-phenylbenzo[c]isoxazole
The XLogP value of 4.0 indicates that 5-Iodo-3-phenylbenzo[c]isoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 5-Iodo-3-phenylbenzo[c]isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Iodo-3-phenylbenzo[c]isoxazole 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 5-Iodo-3-phenylbenzo[c]isoxazole?
The CAS number of 5-Iodo-3-phenylbenzo[c]isoxazole is 100675-99-8.
What is the molecular formula of 5-Iodo-3-phenylbenzo[c]isoxazole?
The molecular formula of 5-Iodo-3-phenylbenzo[c]isoxazole is C13H8INO.
What is the molecular weight of 5-Iodo-3-phenylbenzo[c]isoxazole?
The molecular weight of 5-Iodo-3-phenylbenzo[c]isoxazole is 320.97 g/mol.
Where can I buy 5-Iodo-3-phenylbenzo[c]isoxazole?
You can request a quote for 5-Iodo-3-phenylbenzo[c]isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Iodo-3-phenylbenzo[c]isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Iodo-3-phenylbenzo[c]isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.