4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl-
TL;DR: 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl- (CAS 76443-45-3) is a chemical compound with molecular formula C9H6INO2 and molecular weight 286.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iodo-2-methyl-3,1-benzoxazin-4-one
Also Known As: 5-Iodo-2-methyl-4H-3,1-benzoxazin-4-one, 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl-, 5-iodo-2-methyl-3,1-benzoxazin-4-one, 5-Iodo-2-methyl-4H-benzo[d][1,3]oxazin-4-one, RefChem:297459
| Molecular Formula | C9H6INO2 |
|---|---|
| Molecular Weight | 286.94 g/mol |
| LogP | 2.10102 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.94434 |
| Heavy Atoms | 13 |
| Complexity | 518.4939 |
Chemical Identifiers
| CAS Number | 76443-45-3 |
|---|---|
| SMILES | CC1=NC2=C(C(=CC=C2)I)C(=O)O1 |
Product Overview
4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl- (CAS 76443-45-3), with molecular formula C9H6INO2 and molecular weight 286.94 g/mol. IUPAC: 5-iodo-2-methyl-3,1-benzoxazin-4-one.
Chemical Property Profile of 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl-
Property Insights of 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl-
The XLogP value of 2.10102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl-. With a topological polar surface area (TPSA) of 43.1 Ų, 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl- has 0 hydrogen bond donor(s) and 3 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 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl-?
The CAS number of 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl- is 76443-45-3.
What is the molecular formula of 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl-?
The molecular formula of 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl- is C9H6INO2.
What is the molecular weight of 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl-?
The molecular weight of 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl- is 286.94 g/mol.
Where can I buy 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl-?
You can request a quote for 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-3,1-Benzoxazin-4-one, 5-iodo-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.