CAS RN: 525-37-1
1,6-Naphthalenedisulfonic acid
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.20251106 | 100g / 500g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS525-37-1
- Purity/Analytical Methods: >99.0%
525-37-1 / naphthalene-1,6-disulfonic acid
Basic Information
CAS
525-37-1
Multi CAS
No
Molecular Formula
C10H8O6S2
Molecular Weight
288.300000
Exact Mass
287.976230
InChI
InChI=1S/C10H8O6S2/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
InChIKey
HEWDOWUUTBCVJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.58
TPSA
108.74
LogP / Solubility
WLOGP
1.33
MLOGP
1.18
XLogP3
0.7
Consensus LogP
1.07
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately 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)
-3.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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