2-Iodomethyl-4-oxo-4H-chromene
TL;DR: 2-Iodomethyl-4-oxo-4H-chromene (CAS 120045-72-9) is a chemical compound with molecular formula C10H7IO2 and molecular weight 285.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(iodomethyl)chromen-4-one
Also Known As: 2-iodomethylchromen-4-one, 2-(iodomethyl)chromen-4-one, 2-Iodomethyl-4-oxo-4H-chromene, 2-(iodomethyl)-4h-chromen-4-one, 4H-1-Benzopyran-4-one, 2-(iodomethyl)-
| Molecular Formula | C10H7IO2 |
|---|---|
| Molecular Weight | 285.95 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.94907 |
| Heavy Atoms | 13 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 120045-72-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(O2)CI |
| InChIKey | IZOLWLLKLAXLSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Iodomethyl-4-oxo-4H-chromene (CAS 120045-72-9), with molecular formula C10H7IO2 and molecular weight 285.95 g/mol. IUPAC: 2-(iodomethyl)chromen-4-one.
Chemical Property Profile of 2-Iodomethyl-4-oxo-4H-chromene
Property Insights of 2-Iodomethyl-4-oxo-4H-chromene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodomethyl-4-oxo-4H-chromene. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Iodomethyl-4-oxo-4H-chromene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodomethyl-4-oxo-4H-chromene 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 2-Iodomethyl-4-oxo-4H-chromene?
The CAS number of 2-Iodomethyl-4-oxo-4H-chromene is 120045-72-9.
What is the molecular formula of 2-Iodomethyl-4-oxo-4H-chromene?
The molecular formula of 2-Iodomethyl-4-oxo-4H-chromene is C10H7IO2.
What is the molecular weight of 2-Iodomethyl-4-oxo-4H-chromene?
The molecular weight of 2-Iodomethyl-4-oxo-4H-chromene is 285.95 g/mol.
Where can I buy 2-Iodomethyl-4-oxo-4H-chromene?
You can request a quote for 2-Iodomethyl-4-oxo-4H-chromene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodomethyl-4-oxo-4H-chromene?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodomethyl-4-oxo-4H-chromene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.