CAS RN: 12225-25-1
REACTIVE BLACK 5
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250809 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong, Hebei | Inquiry |
- Product code: starshine_CAS12225-25-1
- Purity/Analytical Methods: >99.0%
12225-25-1 / tetrasodium;4-amino-5-hydroxy-3,6-bis[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
Basic Information
CAS
12225-25-1
Multi CAS
No
Molecular Formula
C26H21N5Na4O19S6
Molecular Weight
991.800000
Exact Mass
990.874578
SMILES
C1=CC(=CC=C1N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])N)O)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4
InChIKey
HFIYIRIMGZMCPC-UHFFFAOYSA-J
Computed Properties
Structural Parameters
Heavy atom count
60
Aromatic heavy atom count
22
Fraction Csp3
0.15
Rotatable bonds
16
H-bond acceptors
24
H-bond donors
2
Molar refractivity
182.59
TPSA
411.23
LogP / Solubility
WLOGP
-10.72
MLOGP
-9.34
XLogP3
-10.72
Consensus LogP
-10.26
Log S (ESOL)
1.55
Class (ESOL)
Highly soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.87
Class (SILICOS-IT)
Highly 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)
-16.38
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
4.5
Customers Also Viewed
-
REACTIVE ORANGE 16
- CAS RN: 12225-83-1
- Product Code: starshine_CAS12225-83-1
- Purity/Analytical method: >99.0%
-
-
Barium hydroxide octahydrate
- CAS RN: 12230-71-6
- Product Code: starshine_CAS12230-71-6
- Purity/Analytical method: >99.0%
-
-
REACTIVE BLUE 2
- CAS RN: 12236-82-7
- Product Code: starshine_CAS12236-82-7
- Purity/Analytical method: >99.0%
-
Reactive Turquoise Blue Kn-G
- CAS RN: 12236-86-1
- Product Code: starshine_CAS12236-86-1
- Purity/Analytical method: >99.0%
