CAS RN: 884497-52-3
CHEMBRDG-BB 5631227
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.20250513 | 10mg / 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS884497-52-3
- Purity/Analytical Methods: >99.0%
884497-52-3 / 2-(6-chloropyrazin-2-yl)sulfanylacetic acid
Basic Information
CAS
884497-52-3
Multi CAS
No
Molecular Formula
C6H5CLN2O2S
Molecular Weight
204.630000
Exact Mass
203.976026
InChI
InChI=1S/C6H5ClN2O2S/c7-4-1-8-2-5(9-4)12-3-6(10)11/h1-2H,3H2,(H,10,11)
InChIKey
YVZDYMPVZRGXHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.4
TPSA
63.08
LogP / Solubility
WLOGP
1.31
MLOGP
1.15
XLogP3
1.2
Consensus LogP
1.22
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
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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