CAS RN: 56919-56-3
(QUINOLIN-2-YLSULFANYL)-ACETIC ACID
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250601 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS56919-56-3
- Purity/Analytical Methods: >99.0%
56919-56-3 / 2-quinolin-2-ylsulfanylacetic acid
Basic Information
CAS
56919-56-3
Multi CAS
No
Molecular Formula
C11H9NO2S
Molecular Weight
219.260000
Exact Mass
219.035400
InChI
InChI=1S/C11H9NO2S/c13-11(14)7-15-10-6-5-8-3-1-2-4-9(8)12-10/h1-6H,7H2,(H,13,14)
InChIKey
WOZJGFBFMIWEGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.1
TPSA
50.19
LogP / Solubility
WLOGP
2.41
MLOGP
2.12
XLogP3
2.6
Consensus LogP
2.38
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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