CAS RN: 1352414-81-3
Fasudil IMpurity 2 (Isoquinoline-8-sulfonic acid)
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.20250420 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1352414-81-3
- Purity/Analytical Methods: >99.0%
1352414-81-3 / [benzenesulfonyl(dimethylcarbamoyl)amino] acetate
Basic Information
CAS
1352414-81-3
Multi CAS
No
Molecular Formula
C11H14N2O5S
Molecular Weight
286.310000
Exact Mass
286.062343
SMILES
CC(=O)ON(C(=O)N(C)C)S(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H14N2O5S/c1-9(14)18-13(11(15)12(2)3)19(16,17)10-7-5-4-6-8-10/h4-8H,1-3H3
InChIKey
ZWDDYJLHYOEJSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
66.32
TPSA
83.99
LogP / Solubility
WLOGP
0.84
MLOGP
0.75
XLogP3
0.9
Consensus LogP
0.83
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-3.87
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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