CAS RN: 732939-58-1
6-sulfonaphthalene-1,9-dicarboxylicacid
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250523 | 100mg / 500mg / 1g / 5g | Confirm by inquiry | Shanghai, Hebei | 5-7 business days | Inquiry |
- Product code: LINS887494
732939-58-1 / 6-sulfonaphthalene-1,4-dicarboxylic acid
Basic Information
CAS
732939-58-1
Multi CAS
No
Molecular Formula
C12H8O7S
Molecular Weight
296.250000
Exact Mass
295.999074
InChI
InChI=1S/C12H8O7S/c13-11(14)8-3-4-9(12(15)16)10-5-6(20(17,18)19)1-2-7(8)10/h1-5H,(H,13,14)(H,15,16)(H,17,18,19)
InChIKey
DIXLPXBXYWKJKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
67.68
TPSA
128.97
LogP / Solubility
WLOGP
1.48
MLOGP
1.32
XLogP3
1
Consensus LogP
1.27
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly 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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 289042-12-2 tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate
- CAS RN: 289042-12-2
- Product Code: SSC-130818
-
6-[(3R,4R)-3-(Acetyloxy)-N,4-dimethyl-6-oxo-L-norleucine] Cyclosporin A
- CAS RN: 121584-52-9
- Product Code: SSC-024124
-
-
(4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester
- CAS RN: 147489-06-3
- Product Code: SSC-058115
-
-
![CAS 289042-12-2 tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b888447.gif)
![CAS 121584-52-9 6-[(3R,4R)-3-(Acetyloxy)-N,4-dimethyl-6-oxo-L-norleucine] Cyclosporin A molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/r886454.gif)
![CAS 147489-06-3 (4R,6S)-6-[(1E)-2-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/74511000.gif)
