CAS RN: 742641-46-9
4,8-disulfo-2,6-naphthalenedicarboxylic acid
Product Availability
Choose a grade to view its available package options.
9 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250914 | 50mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS742641-46-9
- Purity/Analytical Methods: >99.0%
742641-46-9 / 4,8-disulfonaphthalene-2,6-dicarboxylic acid
Basic Information
CAS
742641-46-9
Multi CAS
No
Molecular Formula
C12H8O10S2
Molecular Weight
376.300000
Exact Mass
375.955889
InChI
InChI=1S/C12H8O10S2/c13-11(14)5-1-7-8(10(3-5)24(20,21)22)2-6(12(15)16)4-9(7)23(17,18)19/h1-4H,(H,13,14)(H,15,16)(H,17,18,19)(H,20,21,22)
InChIKey
ZQWYRGRHXNAOLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
10
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
77.5
TPSA
183.34
LogP / Solubility
WLOGP
0.73
MLOGP
0.66
XLogP3
-0.3
Consensus LogP
0.36
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-4.5
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
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