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 | Shanghai | Inquiry |
502132-86-7 / 5-(2-fluorophenyl)-1H-pyrazol-3-amine
Basic Information
CAS
502132-86-7
Multi CAS
Yes
Molecular Formula
C9FH8N3
Molecular Weight
177.180000
Exact Mass
177.070225
InChI
InChI=1S/C9H8FN3/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,(H3,11,12,13)
InChIKey
HUDWZILWJQGLPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.39
TPSA
54.7
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
5-[[3-Dimethylamino)propyl]amino]-3,10-dimethylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dionedihydrochloride
- CAS RN: 502137-98-6
- Product Code: SSC-156631
-
-
(2-Chloro-6-methyl-pyrimidin-4-yl)-ethyl-amine
- CAS RN: 502141-81-3
- Product Code: SSC-156633
-
-
Methyl 5-aMino-2,6-dichloropyriMidine-4-carboxylate
- CAS RN: 502184-51-2
- Product Code: SSC-156638
![CAS 502137-98-6 5-[[3-Dimethylamino)propyl]amino]-3,10-dimethylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dionedihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/502137-98-6.gif)
![CAS 502141-03-9 5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/502141-03-9.gif)
