CAS RN: 63302-99-8
Azaphenonxazine dihydrochloride Monohydrate
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250907 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS63302-99-8
- Purity/Analytical Methods: >99.0%
63302-99-8 / 5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine;hydrate;dihydrochloride
Basic Information
CAS
63302-99-8
Multi CAS
Yes
Molecular Formula
C16H23CL2N5O2
Molecular Weight
388.300000
Exact Mass
387.122880
InChI
InChI=1S/C16H19N5O.2ClH.H2O/c1-19-7-9-21(10-8-19)15-11-13-16(18-17-15)22-14-6-4-3-5-12(14)20(13)2;;;/h3-6,11H,7-10H2,1-2H3;2*1H;1H2
InChIKey
VKMOGSQJNTXLNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
104.43
TPSA
76.23
LogP / Solubility
WLOGP
2.12
MLOGP
1.89
XLogP3
2.12
Consensus LogP
2.04
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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