CAS RN: 70210-20-7
Reactive Red 24
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS70210-20-7
- Purity/Analytical Methods: >99.0%
70210-20-7 / trisodium;5-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Basic Information
CAS
70210-20-7
Multi CAS
Yes
Molecular Formula
C26H17CLN7NA3O10S3
Molecular Weight
788.100000
Exact Mass
786.958064
InChI
InChI=1S/C26H20ClN7O10S3.3Na/c1-34(15-7-3-2-4-8-15)26-30-24(27)29-25(31-26)28-18-13-16(45(36,37)38)11-14-12-20(47(42,43)44)22(23(35)21(14)18)33-32-17-9-5-6-10-19(17)46(39,40)41;;;/h2-13,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3
InChIKey
JGIGXKSJLSQJGQ-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
28
Fraction Csp3
0.04
Rotatable bonds
9
H-bond acceptors
17
H-bond donors
2
Molar refractivity
162.75
TPSA
270.49
LogP / Solubility
WLOGP
-4.96
MLOGP
-4.3
XLogP3
-4.96
Consensus LogP
-4.74
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-11.05
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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