CAS RN: 81-11-8
4,4′-Diaminostilbene-2,2′-disulfonic Acid
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: SSC-189588
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 10g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
81-11-8 / 5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid
Basic Information
CAS
81-11-8
Multi CAS
Yes
Molecular Formula
C14H14N2O6S2
Molecular Weight
370.400000
Exact Mass
370.029329
InChI
InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)
InChIKey
REJHVSOVQBJEBF-UHFFFAOYSA-N
Physical Properties
Melting Point
greater than 617 °F (NTP, 1992)
Physical Description
4,4'-diamino-2,2'-stilbenedisulfonic acid appears as odorless yellowish microscopic needles or cream-colored powder. pH approximately 4.3 at 30 g/L water (suspension). (NTP, 1992)
Dry Powder
Yellow solid; [Merck Index]
Appearance
YELLOW NEEDLES
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
90.27
TPSA
160.78
LogP / Solubility
WLOGP
1.51
MLOGP
1.35
XLogP3
0.3
Consensus LogP
1.05
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
