CAS RN: 1784463-68-8
Methyl 5-chlorothiazole-4-carboxylate
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.20250913 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1784463-68-8
- Purity/Analytical Methods: >99.0%
1784463-68-8 / methyl 5-chloro-1,3-thiazole-4-carboxylate
Basic Information
CAS
1784463-68-8
Multi CAS
No
Molecular Formula
C5H4ClNO2S
Molecular Weight
177.610000
Exact Mass
176.965127
SMILES
COC(=O)C1=C(SC=N1)Cl
InChI
InChI=1S/C5H4ClNO2S/c1-9-5(8)3-4(6)10-2-7-3/h2H,1H3
InChIKey
CBUGUIRVEVWZGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
38.46
TPSA
39.19
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
2.1
Consensus LogP
1.69
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-2.68
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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