CAS RN: 43088-51-3
3-d)pyrimidin-4(3h)-one,3-amino-2-methyl-5-phenyl-thieno(
- Product code: SSC-151375
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 |
43088-51-3 / 3-amino-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
Basic Information
CAS
43088-51-3
Multi CAS
No
Molecular Formula
C13H11N3OS
Molecular Weight
257.310000
Exact Mass
257.062283
InChI
InChI=1S/C13H11N3OS/c1-8-15-12-11(13(17)16(8)14)10(7-18-12)9-5-3-2-4-6-9/h2-7H,14H2,1H3
InChIKey
BXOLEYZBXKQEQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.2
TPSA
60.91
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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