CAS RN: 86672-58-4
6-Methyl-2-(p-tolylamino)-4H-3,1-benzoxazin-4-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260530 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTM2572
- Purity/Analytical Methods: >95.0%(HPLC)
86672-58-4 / 6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one
Basic Information
CAS
86672-58-4
Multi CAS
Yes
Molecular Formula
C16H14N2O2
Molecular Weight
266.290000
Exact Mass
266.105528
InChI
InChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)17-16-18-14-8-5-11(2)9-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18)
InChIKey
GFWNGVKCDGYFKG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.48
TPSA
55.13
LogP / Solubility
WLOGP
3.55
MLOGP
3.13
XLogP3
3.4
Consensus LogP
3.36
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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