![CAS 501357-90-0 Pyrido[3′,2′:4,5]thieno[3,2-d]pyriMidine-2,4(1H,3H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/501357-90-0.gif)
CAS RN: 501357-90-0
Pyrido[3′,2′:4,5]thieno[3,2-d]pyriMidine-2,4(1H,3H)-dione
- Product code: SSC-156540
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 |
501357-90-0 / 8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Basic Information
CAS
501357-90-0
Multi CAS
No
Molecular Formula
C9H5N3O2S
Molecular Weight
219.220000
Exact Mass
219.010248
InChI
InChI=1S/C9H5N3O2S/c13-7-6-5(11-9(14)12-7)4-2-1-3-10-8(4)15-6/h1-3H,(H2,11,12,13,14)
InChIKey
SOWCVDMRPMZWHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.37
TPSA
78.61
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
1.1
Consensus LogP
0.89
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.47
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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