![CAS 852399-99-6 3-AMINO-2-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1359310.gif)
CAS RN: 852399-99-6
3-AMINO-2-METHYLTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
- Product code: SSC-193544
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 | Hong Kong | Inquiry |
852399-99-6 / 3-amino-2-methylthieno[2,3-d]pyrimidin-4-one
Basic Information
CAS
852399-99-6
Multi CAS
Yes
Molecular Formula
C7H7N3OS
Molecular Weight
181.220000
Exact Mass
181.030983
InChI
InChI=1S/C7H7N3OS/c1-4-9-6-5(2-3-12-6)7(11)10(4)8/h2-3H,8H2,1H3
InChIKey
GXLARADPXGNYDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.77
TPSA
60.91
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
0.1
Consensus LogP
0.33
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.48
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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