CAS RN: 6709-58-6
FAST DARK BLUE R SALT
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.20251102 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6709-58-6
- Purity/Analytical Methods: >99.0%
6709-58-6 / 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-2,5-dimethoxybenzenediazonium
Basic Information
CAS
6709-58-6
Multi CAS
Yes
Molecular Formula
C14H10CL2N5O4
Molecular Weight
383.200000
Exact Mass
382.010984
InChI
InChI=1S/C14H10Cl2N5O4/c1-24-12-6-11(13(25-2)5-10(12)18-17)19-20-14-8(15)3-7(21(22)23)4-9(14)16/h3-6H,1-2H3/q+1
InChIKey
VTOWZOJOEIGNGU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
7
Molar refractivity
91.58
TPSA
114.47
LogP / Solubility
WLOGP
5.82
MLOGP
5.14
XLogP3
5.4
Consensus LogP
5.45
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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