CAS RN: 67846-56-4
3-amino-7-(dimethylamino)-2-methoxyphenoxazin-5-ium chloride
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260605 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS67846-56-4
- Purity/Analytical Methods: >99.0%
67846-56-4 / (7-amino-8-methoxyphenoxazin-3-ylidene)-dimethylazanium chloride
Basic Information
CAS
67846-56-4
Multi CAS
No
Molecular Formula
C15H16CLN3O2
Molecular Weight
305.760000
Exact Mass
305.093105
InChI
InChI=1S/C15H15N3O2.ClH/c1-18(2)9-4-5-11-14(6-9)20-15-7-10(16)13(19-3)8-12(15)17-11;/h4-8,16H,1-3H3;1H
InChIKey
RBEVNYJLJHARBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.71
TPSA
64.29
LogP / Solubility
WLOGP
-1.44
MLOGP
-1.26
XLogP3
-1.44
Consensus LogP
-1.38
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.57
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-5.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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