![CAS 700-52-7 7-METHYL-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDIN-5-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/700-52-7.gif)
CAS RN: 700-52-7
7-METHYL-5H-[1,3]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.20250425 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS700-52-7
- Purity/Analytical Methods: >99.0%
700-52-7 / 7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Basic Information
CAS
700-52-7
Multi CAS
No
Molecular Formula
C7H6N2OS
Molecular Weight
166.200000
Exact Mass
166.020084
InChI
InChI=1S/C7H6N2OS/c1-5-4-6(10)9-2-3-11-7(9)8-5/h2-4H,1H3
InChIKey
XMDSWVYUSVIUCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
Molar refractivity
44.08
TPSA
34.37
LogP / Solubility
WLOGP
1.06
MLOGP
0.93
XLogP3
0.6
Consensus LogP
0.86
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-2.98
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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- CAS RN: 700-99-2
- Product Code: starshine_CAS700-99-2
- Purity/Analytical method: >99.0%
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