CAS RN: 69804-59-7
2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-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.20250418 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS69804-59-7
- Purity/Analytical Methods: >99.0%
69804-59-7 / 2,7-dihydroxy-4H-1,4-benzoxazin-3-one
Basic Information
CAS
69804-59-7
Multi CAS
No
Molecular Formula
C8H7NO4
Molecular Weight
181.150000
Exact Mass
181.037508
InChI
InChI=1S/C8H7NO4/c10-4-1-2-5-6(3-4)13-8(12)7(11)9-5/h1-3,8,10,12H,(H,9,11)
InChIKey
HDRDOKTYPONKPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
4
H-bond donors
3
Molar refractivity
43.37
TPSA
78.79
LogP / Solubility
WLOGP
0.04
MLOGP
0.03
Consensus LogP
0.02
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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