CAS RN: 68238-36-8
PATENT BLUE VIOLET
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251223 | 5mg / 10mg / 50mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250125 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260501 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250224 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260420 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260312 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251026 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250530 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20250508 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-177964
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
68238-36-8 / sodium 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,4-disulfonate
Basic Information
CAS
68238-36-8
Multi CAS
Yes
Molecular Formula
C27H31N2NAO6S2
Molecular Weight
566.700000
Exact Mass
566.152123
InChI
InChI=1S/C27H32N2O6S2.Na/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-19-24(36(30,31)32)17-18-26(25)37(33,34)35;/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);/q;+1/p-1
InChIKey
NLUFDZBOHMOBOE-UHFFFAOYSA-M
Physical Properties
Appearance
Blue-green liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
7
Molar refractivity
143.02
TPSA
120.65
LogP / Solubility
WLOGP
0.77
MLOGP
0.72
XLogP3
0.77
Consensus LogP
0.75
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-5.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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