CAS RN: 2137792-51-7
Thiazole, 5-iodo-2-methoxy-
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.20251004 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2137792-51-7
- Purity/Analytical Methods: >99.0%
2137792-51-7 / 5-iodo-2-methoxy-1,3-thiazole
Basic Information
CAS
2137792-51-7
Multi CAS
No
Molecular Formula
C4H4INOS
Molecular Weight
241.050000
Exact Mass
240.905830
SMILES
COC1=NC=C(S1)I
InChI
InChI=1S/C4H4INOS/c1-7-4-6-2-3(5)8-4/h2H,1H3
InChIKey
BJXYUVVOTHWELC-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
Molar refractivity
41.38
TPSA
22.12
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
1.9
Consensus LogP
1.74
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.94
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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