CAS RN: 50398-78-2
(5-chloro-1,3-thiazol-2-yl)methanol
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.20250429 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS50398-78-2
- Purity/Analytical Methods: >99.0%
50398-78-2 / (5-chloro-1,3-thiazol-2-yl)methanol
Basic Information
CAS
50398-78-2
Multi CAS
No
Molecular Formula
C4H4CLNOS
Molecular Weight
149.600000
Exact Mass
148.970213
InChI
InChI=1S/C4H4ClNOS/c5-3-1-6-4(2-7)8-3/h1,7H,2H2
InChIKey
FTFSPIOBBWGKLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
33.05
TPSA
33.12
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
1.1
Consensus LogP
1.17
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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