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 | Hong Kong | Inquiry |
474707-69-2 / 5-(3,4-difluorophenyl)-1H-pyrazole
Basic Information
CAS
474707-69-2
Multi CAS
No
Molecular Formula
C9F2H6N2
Molecular Weight
180.150000
Exact Mass
180.049905
InChI
InChI=1S/C9H6F2N2/c10-7-2-1-6(5-8(7)11)9-3-4-12-13-9/h1-5H,(H,12,13)
InChIKey
JCDZUGMQQWZARW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.94
TPSA
28.68
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.1
Consensus LogP
2.17
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.74
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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)
-2.15
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
-
-
3-[4-(Trifluoromethoxy)phenyl]-1H-pyrazole 97%
- CAS RN: 474707-71-6
- Product Code: SSC-154412
-
-
6-BROMO-IMIDAZO[1,2-A]PYRIDINE-3-CARBONITRILE
- CAS RN: 474708-98-0
- Product Code: starshine_CAS474708-98-0
- Purity/Analytical method: >99.0%
-
-
4,4,5,5-TETRAMETHYL-2-(4-TRIFLUOROMETHOXYPHENYL)-1,3,2-DIOXABOROLANE
- CAS RN: 474709-28-9
- Product Code: SSC-154419
![CAS 474707-71-6 3-[4-(Trifluoromethoxy)phenyl]-1H-pyrazole 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB21261789.gif)
![CAS 474708-88-8 6-bromo-8-chloroimidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/474708-88-8.gif)
![CAS 474708-98-0 6-BROMO-IMIDAZO[1,2-A]PYRIDINE-3-CARBONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/474708-98-0.gif)
![CAS 474709-06-3 6-Bromo-8-fluoroimidazo[1,2-a]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/474709-06-3.gif)
