6-methylsulfanyl-4H-1,4-benzoxazin-3-one
TL;DR: 6-methylsulfanyl-4H-1,4-benzoxazin-3-one (CAS 459190-24-0) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylsulfanyl-4H-1,4-benzoxazin-3-one
Also Known As: 6-methylsulfanyl-4H-1,4-benzoxazin-3-one, 2H-1,4-Benzoxazin-3(4H)-one, 6-(methylthio)-, 6-(methylsulfanyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one, 3-methylsulfanyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 1.7394 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 351.468 |
Chemical Identifiers
| CAS Number | 459190-24-0 |
|---|---|
| SMILES | CSC1=CC2=C(C=C1)OCC(=O)N2 |
Product Overview
6-methylsulfanyl-4H-1,4-benzoxazin-3-one (CAS 459190-24-0), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 6-methylsulfanyl-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-methylsulfanyl-4H-1,4-benzoxazin-3-one
Property Insights of 6-methylsulfanyl-4H-1,4-benzoxazin-3-one
The XLogP value of 1.7394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methylsulfanyl-4H-1,4-benzoxazin-3-one. With a topological polar surface area (TPSA) of 38.33 Ų, 6-methylsulfanyl-4H-1,4-benzoxazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methylsulfanyl-4H-1,4-benzoxazin-3-one has 1 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-methylsulfanyl-4H-1,4-benzoxazin-3-one?
The CAS number of 6-methylsulfanyl-4H-1,4-benzoxazin-3-one is 459190-24-0.
What is the molecular formula of 6-methylsulfanyl-4H-1,4-benzoxazin-3-one?
The molecular formula of 6-methylsulfanyl-4H-1,4-benzoxazin-3-one is C9H9NO2S.
What is the molecular weight of 6-methylsulfanyl-4H-1,4-benzoxazin-3-one?
The molecular weight of 6-methylsulfanyl-4H-1,4-benzoxazin-3-one is 195.04 g/mol.
Where can I buy 6-methylsulfanyl-4H-1,4-benzoxazin-3-one?
You can request a quote for 6-methylsulfanyl-4H-1,4-benzoxazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methylsulfanyl-4H-1,4-benzoxazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-methylsulfanyl-4H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.