4-Iodo-3-phenylisoxazole
TL;DR: 4-Iodo-3-phenylisoxazole (CAS 23253-50-1) is a chemical compound with molecular formula C9H6INO and molecular weight 270.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-3-phenyl-1,2-oxazole
Also Known As: 4-Iodo-3-phenylisoxazole, 3-Phenyl-4-iodoisoxazole, 4-iodo-3-phenyl-1,2-oxazole, Isoxazole, 4-iodo-3-phenyl-, 4-Iodo-3-phenylisoxazole #
| Molecular Formula | C9H6INO |
|---|---|
| Molecular Weight | 270.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.9494 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 23253-50-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NOC=C2I |
| InChIKey | NEVGSUVHFIAAFZ-UHFFFAOYSA-N |
Product Overview
4-Iodo-3-phenylisoxazole (CAS 23253-50-1), with molecular formula C9H6INO and molecular weight 270.95 g/mol. IUPAC: 4-iodo-3-phenyl-1,2-oxazole.
Chemical Property Profile of 4-Iodo-3-phenylisoxazole
Property Insights of 4-Iodo-3-phenylisoxazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodo-3-phenylisoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Iodo-3-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodo-3-phenylisoxazole 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 4-Iodo-3-phenylisoxazole?
The CAS number of 4-Iodo-3-phenylisoxazole is 23253-50-1.
What is the molecular formula of 4-Iodo-3-phenylisoxazole?
The molecular formula of 4-Iodo-3-phenylisoxazole is C9H6INO.
What is the molecular weight of 4-Iodo-3-phenylisoxazole?
The molecular weight of 4-Iodo-3-phenylisoxazole is 270.95 g/mol.
Where can I buy 4-Iodo-3-phenylisoxazole?
You can request a quote for 4-Iodo-3-phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodo-3-phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodo-3-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.