CAS RN: 653-05-4
4,5,9,10-TETRAAZAPHENANTHRENE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260102 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS653-05-4
- Purity/Analytical Methods: >99.0%
653-05-4 / 3,8,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,8,11,13-heptaene
Basic Information
CAS
653-05-4
Multi CAS
No
Molecular Formula
C10H6N4
Molecular Weight
182.180000
Exact Mass
182.059246
InChI
InChI=1S/C10H6N4/c1-3-7-9(11-5-1)10-8(14-13-7)4-2-6-12-10/h1-6H
InChIKey
QMFMZFPFIUREDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
14
H-bond acceptors
4
Molar refractivity
52.63
TPSA
51.56
LogP / Solubility
WLOGP
1.57
MLOGP
1.38
XLogP3
0.6
Consensus LogP
1.18
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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