CAS RN: 262-05-5
10H-phenoselenazine
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS262-05-5
- Purity/Analytical Methods: >99.0%
262-05-5 / 10H-phenoselenazine
Basic Information
CAS
262-05-5
Multi CAS
No
Molecular Formula
C12H9NSe
Molecular Weight
246.180000
Exact Mass
246.990020
SMILES
C1=CC=C2C(=C1)NC3=CC=CC=C3[Se]2
InChI
InChI=1S/C12H9NSe/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
InChIKey
ILFYOWGJBKEMSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.19
TPSA
12.03
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-3.23
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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