![CAS 306934-76-9 5-METHYL-6-PHENYLTHIENO[2,3-D]PYRIMIDIN-4-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/306934-76-9(2).gif)
CAS RN: 306934-76-9
5-METHYL-6-PHENYLTHIENO[2,3-D]PYRIMIDIN-4-OL
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.20250705 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS306934-76-9
- Purity/Analytical Methods: >99.0%
306934-76-9 / 5-methyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
Basic Information
CAS
306934-76-9
Multi CAS
Yes
Molecular Formula
C13H10N2OS
Molecular Weight
242.300000
Exact Mass
242.051384
InChI
InChI=1S/C13H10N2OS/c1-8-10-12(16)14-7-15-13(10)17-11(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15,16)
InChIKey
CTVQYCYDAHDMBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.41
TPSA
45.75
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
2.7
Consensus LogP
2.76
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.1
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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