CAS RN: 31894-34-5
1-NAPHTHOL-3,6,8-TRISULFONIC ACID TRISODIUM SALT
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260623 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS31894-34-5
- Purity/Analytical Methods: >99.0%
31894-34-5 / trisodium;8-hydroxynaphthalene-1,3,6-trisulfonate
Basic Information
CAS
31894-34-5
Multi CAS
Yes
Molecular Formula
C10H5NA3O10S3
Molecular Weight
450.300000
Exact Mass
449.873793
InChI
InChI=1S/C10H8O10S3.3Na/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20;;;/h1-4,11H,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3
InChIKey
VQXXRDCDIFAODW-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
1
Molar refractivity
69.5
TPSA
191.83
LogP / Solubility
WLOGP
-9.73
MLOGP
-8.53
XLogP3
-9.73
Consensus LogP
-9.33
Log S (ESOL)
3.41
Class (ESOL)
Highly soluble
Log S (Ali)
3.77
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.13
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)
-12.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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