CAS RN: 878160-15-7
2H-1,4-Benzoxazin-3(4H)-one, 7-methoxy-6-nitro-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251028 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS878160-15-7
- Purity/Analytical Methods: >99.0%
878160-15-7 / 7-methoxy-6-nitro-4H-1,4-benzoxazin-3-one
Basic Information
CAS
878160-15-7
Multi CAS
No
Molecular Formula
C9H8N2O5
Molecular Weight
224.170000
Exact Mass
224.043321
InChI
InChI=1S/C9H8N2O5/c1-15-8-3-7-5(2-6(8)11(13)14)10-9(12)4-16-7/h2-3H,4H2,1H3,(H,10,12)
InChIKey
CXLKAEISRXXRII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
53.77
TPSA
90.7
LogP / Solubility
WLOGP
0.93
MLOGP
0.83
XLogP3
0.7
Consensus LogP
0.82
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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