![CAS 502651-65-2 6-ISO-PROPYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1156674.gif)
CAS RN: 502651-65-2
6-ISO-PROPYL-3H-THIENO[2,3-D]PYRIMIDIN-4-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.20260602 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS502651-65-2
- Purity/Analytical Methods: >99.0%
502651-65-2 / 6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
Basic Information
CAS
502651-65-2
Multi CAS
Yes
Molecular Formula
C9H10N2OS
Molecular Weight
194.260000
Exact Mass
194.051384
InChI
InChI=1S/C9H10N2OS/c1-5(2)7-3-6-8(12)10-4-11-9(6)13-7/h3-5H,1-2H3,(H,10,11,12)
InChIKey
QPXYXDJHZOFGTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.33
TPSA
45.75
LogP / Solubility
WLOGP
2.11
MLOGP
1.85
XLogP3
1.9
Consensus LogP
1.95
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
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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