CAS RN: 212507-17-0
2(1H)-Pyridinone,3-amino-6-cyclopropyl-(9CI)
- Product code: SSC-101487
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 | Beijing | Inquiry |
212507-17-0 / 3-amino-6-cyclopropyl-1H-pyridin-2-one
Basic Information
CAS
212507-17-0
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
SMILES
C1CC1C2=CC=C(C(=O)N2)N
InChI
InChI=1S/C8H10N2O/c9-6-3-4-7(5-1-2-5)10-8(6)11/h3-5H,1-2,9H2,(H,10,11)
InChIKey
PKIVEZOBEXVPFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.45
TPSA
58.88
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.3
Consensus LogP
0.62
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
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)
-3.04
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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