CAS RN: 51068-07-6
2-(7-oxo-3,7-dihydro-2H-thiazolo(3,2-a)pyriMidin-6-yl)acetic acid
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.20260302 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS51068-07-6
- Purity/Analytical Methods: >99.0%
51068-07-6 / 2-(7-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)acetic acid
Basic Information
CAS
51068-07-6
Multi CAS
No
Molecular Formula
C8H8N2O3S
Molecular Weight
212.230000
Exact Mass
212.025563
InChI
InChI=1S/C8H8N2O3S/c11-6(12)3-5-4-10-1-2-14-8(10)9-7(5)13/h4H,1-3H2,(H,11,12)
InChIKey
QOJIBDJESSGNFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.56
TPSA
72.19
LogP / Solubility
WLOGP
-0.02
MLOGP
-0.02
XLogP3
-0.4
Consensus LogP
-0.15
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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