CAS RN: 220057-70-5
4,5,6,7-TETRAFLUORO-3-METHYL-1H-INDAZOLE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250814 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS220057-70-5
- Purity/Analytical Methods: >99.0%
220057-70-5 / 4,5,6,7-tetrafluoro-3-methyl-2H-indazole
Basic Information
CAS
220057-70-5
Multi CAS
No
Molecular Formula
C8H4F4N2
Molecular Weight
204.120000
Exact Mass
204.031061
SMILES
CC1=C2C(=C(C(=C(C2=NN1)F)F)F)F
InChI
InChI=1S/C8H4F4N2/c1-2-3-4(9)5(10)6(11)7(12)8(3)14-13-2/h1H3,(H,13,14)
InChIKey
MEHLPQAUVAMMPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.66
TPSA
28.68
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.4
Consensus LogP
2.32
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
2-Methyl-L-proline Methyl ester hydrochloride
- CAS RN: 220060-08-2
- Product Code: SSC-105860
-
1,2-Pyrrolidinedicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S)-
- CAS RN: 220060-17-3
- Product Code: SSC-105861
-
KF31327
- CAS RN: 220060-39-9
- Product Code: starshine_CAS220060-39-9
- Purity/Analytical method: >99.0%
-
1-(difluoroMethyl)-2,3,4,5,6-pentafluorobenzene
- CAS RN: 22006-44-6
- Product Code: SSC-105859
-
ACTH (1-13)
- CAS RN: 22006-64-0
- Product Code: starshine_CAS22006-64-0
- Purity/Analytical method: >99.0%
-
(2-Chloro-ethyl)-methyl-carbamic acid tert-butyl ester
- CAS RN: 220074-38-4
- Product Code: SSC-105863
