CAS RN: 60060-10-8
ethyl 4-hydroxy-2-(2-pyridinyl)-5-pyrimidinecarboxylate
- Product code: SSC-168640
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
60060-10-8 / ethyl 6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxylate
Basic Information
CAS
60060-10-8
Multi CAS
No
Molecular Formula
C12H11N3O3
Molecular Weight
245.230000
Exact Mass
245.080041
InChI
InChI=1S/C12H11N3O3/c1-2-18-12(17)8-7-14-10(15-11(8)16)9-5-3-4-6-13-9/h3-7H,2H2,1H3,(H,14,15,16)
InChIKey
JGPXJFJTKJTIFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.05
TPSA
84.94
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
0.6
Consensus LogP
0.83
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
