CAS RN: 2055759-40-3
2-amino-3-chloro-4-mercaptopyridine
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.20260220 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS2055759-40-3
- Purity/Analytical Methods: >99.0%
2055759-40-3 / 2-amino-3-chloro-4-mercaptopyridine
Basic Information
CAS
2055759-40-3
Multi CAS
No
Molecular Formula
C5H5ClN2NaS
Molecular Weight
183.620000
Exact Mass
182.975966
SMILES
C1=CNC(=C(C1=S)Cl)N.[Na]
InChI
InChI=1S/C5H5ClN2S.Na/c6-4-3(9)1-2-8-5(4)7;/h1-2H,(H3,7,8,9);
InChIKey
BQTCVODGBFPLGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.8
TPSA
41.81
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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