CAS RN: 531-47-5
5,12-DIHYDRO-5,7,12,14-TETRAZAPENTACENE
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.20260514 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS531-47-5
- Purity/Analytical Methods: >99.0%
531-47-5 / 7,12-dihydroquinoxalino[2,3-b]phenazine
Basic Information
CAS
531-47-5
Multi CAS
Yes
Molecular Formula
C18H12N4
Molecular Weight
284.300000
Exact Mass
284.106196
InChI
InChI=1S/C18H12N4/c1-2-6-12-11(5-1)19-15-9-17-18(10-16(15)20-12)22-14-8-4-3-7-13(14)21-17/h1-10,19-20H
InChIKey
IFXSPEWBAZHCCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
20
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.05
TPSA
49.84
LogP / Solubility
WLOGP
4.58
MLOGP
4.04
XLogP3
3
Consensus LogP
3.87
Log S (ESOL)
-5.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
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)
-1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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- Product Code: starshine_CAS531-53-3
- Purity/Analytical method: >99.0%
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