CAS RN: 2049868-30-4
5-(3,5-Difluorophenyl)-4,5-dihydro-1H-pyrazole
- Product code: SSC-096431
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 3 In Stock | Shanghai | Inquiry |
| 5g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 3 In Stock | Beijing | Inquiry |
2049868-30-4 / 5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazole
Basic Information
CAS
2049868-30-4
Multi CAS
No
Molecular Formula
C9H8F2N2
Molecular Weight
182.170000
Exact Mass
182.065555
SMILES
C1C=NNC1C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C9H8F2N2/c10-7-3-6(4-8(11)5-7)9-1-2-12-13-9/h2-5,9,13H,1H2
InChIKey
KEOSOURUUFSOEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.34
TPSA
24.39
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
1.6
Consensus LogP
1.77
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
Class (SILICOS-IT)
Moderately 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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
(S)-2,2-dimethyl-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)propan-1-one
- CAS RN: 2049868-46-2
- Product Code: SSC-096432
-
1-Propanone, 1-[(5R)-4,5-dihydro-5-phenyl-1H-pyrazol-1-yl]-2,2-dimethyl-
- CAS RN: 2049872-86-6
- Product Code: starshine_CAS2049872-86-6
- Purity/Analytical method: >99.0%
-
3H-Imidazo[1,2-a]pyrrolo[2,3-e]pyrazine, 8-[(3R,4S)-4-ethyl-3-pyrrolidinyl]-, hydrochloride (1:2)
- CAS RN: 2050038-84-9
- Product Code: starshine_CAS2050038-84-9
- Purity/Analytical method: >99.0%
-
mPEG12-OH
- CAS RN: 2050595-03-2
- Product Code: starshine_CAS2050595-03-2
- Purity/Analytical method: >99.0%
-
P-gp inhibitor 1
- CAS RN: 2050747-49-2
- Product Code: starshine_CAS2050747-49-2
- Purity/Analytical method: >99.0%
-
Mutated EGFR-IN-2 (compound 91)
- CAS RN: 2050906-97-1
- Product Code: starshine_CAS2050906-97-1
- Purity/Analytical method: >99.0%
![CAS 2049872-86-6 1-Propanone, 1-[(5R)-4,5-dihydro-5-phenyl-1H-pyrazol-1-yl]-2,2-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2049872-86-6.png)
![CAS 2050038-84-9 3H-Imidazo[1,2-a]pyrrolo[2,3-e]pyrazine, 8-[(3R,4S)-4-ethyl-3-pyrrolidinyl]-, hydrochloride (1:2) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2050038-84-9.png)
