6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one
TL;DR: 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one (CAS 40889-40-5) 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.
6-iodo-2-methyl-3,1-benzoxazin-4-one
Also Known As: 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one, 6-iodo-2-methyl-3,1-benzoxazin-4-one, 6-Iodo-2-methyl-4H-benzo[d][1,3]oxazin-4-one, 6-iodo-2 methyl-4h-3,1-benzoxazine-4-one, 9-iodo-4-methyl-3-oxa-5-azabicyclo[4.4.0]deca-4,7,9,11-tetraen-2-one
| 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 | 40889-40-5 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)I)C(=O)O1 |
Product Overview
6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one (CAS 40889-40-5), with molecular formula C9H6INO2 and molecular weight 286.94 g/mol. IUPAC: 6-iodo-2-methyl-3,1-benzoxazin-4-one.
Chemical Property Profile of 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one
Property Insights of 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one
The XLogP value of 2.10102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one. With a topological polar surface area (TPSA) of 43.1 Ų, 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one 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 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one?
The CAS number of 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one is 40889-40-5.
What is the molecular formula of 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one?
The molecular formula of 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one is C9H6INO2.
What is the molecular weight of 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one?
The molecular weight of 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one is 286.94 g/mol.
Where can I buy 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one?
You can request a quote for 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Iodo-2-methyl-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.