![CAS 913581-92-7 6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913581-92-7.gif)
CAS RN: 913581-92-7
6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diol
- Product code: SSC-204332
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 100g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
913581-92-7 / 6,7-dihydro-1H-thieno[3,2-d]pyrimidine-2,4-dione
Basic Information
CAS
913581-92-7
Multi CAS
No
Molecular Formula
C6H6N2O2S
Molecular Weight
170.190000
Exact Mass
170.014999
InChI
InChI=1S/C6H6N2O2S/c9-5-4-3(1-2-11-4)7-6(10)8-5/h1-2H2,(H2,7,8,9,10)
InChIKey
IJPJTZKMCHONTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.11
TPSA
65.72
LogP / Solubility
WLOGP
-0.29
MLOGP
-0.26
XLogP3
-0.2
Consensus LogP
-0.25
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very 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)
-3.96
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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