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 | Shanghai | Inquiry |
209224-90-8 / 5-naphthalen-2-yl-1H-pyrazol-3-amine
Basic Information
CAS
209224-90-8
Multi CAS
No
Molecular Formula
C13H11N3
Molecular Weight
209.250000
Exact Mass
209.095297
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CC(=NN3)N
InChI
InChI=1S/C13H11N3/c14-13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,14,15,16)
InChIKey
IEWCDCBGMJMROZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.94
TPSA
54.7
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
2.8
Consensus LogP
2.7
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
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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