CAS RN: 80306-38-3
AR7
Product Availability
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9 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250127 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS80306-38-3
- Purity/Analytical Methods: >99.0%
80306-38-3 / 7-chloro-3-(4-methylphenyl)-2H-1,4-benzoxazine
Basic Information
CAS
80306-38-3
Multi CAS
No
Molecular Formula
C15H12CLNO
Molecular Weight
257.710000
Exact Mass
257.060742
InChI
InChI=1S/C15H12ClNO/c1-10-2-4-11(5-3-10)14-9-18-15-8-12(16)6-7-13(15)17-14/h2-8H,9H2,1H3
InChIKey
MVOZLTFXYGHZPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
74.32
TPSA
21.59
LogP / Solubility
WLOGP
4.16
MLOGP
3.67
XLogP3
4.1
Consensus LogP
3.98
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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