![CAS 35265-80-6 6-METHYLTHIENO[3,2-D]PYRIMIDINE-2,4-DIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/35265-80-6.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
35265-80-6 / 6-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
Basic Information
CAS
35265-80-6
Multi CAS
Yes
Molecular Formula
C7H6N2O2S
Molecular Weight
182.200000
Exact Mass
182.014999
InChI
InChI=1S/C7H6N2O2S/c1-3-2-4-5(12-3)6(10)9-7(11)8-4/h2H,1H3,(H2,8,9,10,11)
InChIKey
PIZHAUJWNOWGDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.8
TPSA
65.72
LogP / Solubility
WLOGP
0.59
MLOGP
0.51
XLogP3
0.9
Consensus LogP
0.67
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.42
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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