![CAS 34711-92-7 Ethyl 2-(Methylthio)-5-Oxo-5,8-Dihydropyrido[2,3-D]Pyrimidine-6-Carboxylate(WX130168) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/34711-92-7.gif)
CAS RN: 34711-92-7
Ethyl 2-(Methylthio)-5-Oxo-5,8-Dihydropyrido[2,3-D]Pyrimidine-6-Carboxylate(WX130168)
- Product code: SSC-141309
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 |
34711-92-7 / ethyl 2-methylsulfanyl-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carboxylate
Basic Information
CAS
34711-92-7
Multi CAS
Yes
Molecular Formula
C11H11N3O3S
Molecular Weight
265.290000
Exact Mass
265.052112
InChI
InChI=1S/C11H11N3O3S/c1-3-17-10(16)7-5-12-9-6(8(7)15)4-13-11(14-9)18-2/h4-5H,3H2,1-2H3,(H,12,13,14,15)
InChIKey
MRVUFRQGWKYVCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
67.9
TPSA
84.94
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
1.4
Consensus LogP
1.23
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
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
Yes
Synthetic Accessibility
1.5
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