![CAS 1698908-27-8 3-broMo-7-(chloroMethyl)-2-Methyl-5H-thiazolo[3,2-a]pyriMidin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB82566076.gif)
CAS RN: 1698908-27-8
3-broMo-7-(chloroMethyl)-2-Methyl-5H-thiazolo[3,2-a]pyriMidin-5-one
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.20250717 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1698908-27-8
- Purity/Analytical Methods: >99.0%
1698908-27-8 / 3-bromo-7-(chloromethyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Basic Information
CAS
1698908-27-8
Multi CAS
No
Molecular Formula
C8H6BrClN2OS
Molecular Weight
293.570000
Exact Mass
291.907270
SMILES
CC1=C(N2C(=O)C=C(N=C2S1)CCl)Br
InChI
InChI=1S/C8H6BrClN2OS/c1-4-7(9)12-6(13)2-5(3-10)11-8(12)14-4/h2H,3H2,1H3
InChIKey
ZXKFWALTAUTKFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
61.33
TPSA
34.37
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
1.9
Consensus LogP
2.25
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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