[email protected]
CAS 1000341-24-1 3-CHLORO-6-(TRIFLUOROMETHYL) (1H)INDAZOLE molecular structure lightbox
CAS RN: 1000341-24-1

3-CHLORO-6-(TRIFLUOROMETHYL) (1H)INDAZOLE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1000341-24-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1000341-24-1 / 3-chloro-6-(trifluoromethyl)-2H-indazole

3-Chloro-6-(trifluoromethyl)-1H-indazole | 1000341-24-1 | 3-chloro-6-(trifluoromethyl)-2H-indazole

Standard CAS: 1000341-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1000341-24-1
Multi CAS
No
Molecular Formula
C8H4ClF3N2
Molecular Weight
220.580000
Exact Mass
220.001510
SMILES
C1=CC2=C(NN=C2C=C1C(F)(F)F)Cl
InChI
InChI=1S/C8H4ClF3N2/c9-7-5-2-1-4(8(10,11)12)3-6(5)13-14-7/h1-3H,(H,13,14)
InChIKey
DKBJSSGQCIDXNW-UHFFFAOYSA-N
Synonyms
3-Chloro-6-(trifluoromethyl)-1H-indazole 1000341-24-1 3-chloro-6-(trifluoromethyl)-2H-indazole 1H-Indazole, 3-chloro-6-(trifluoromethyl)- DTXSID80646708

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
46.11
TPSA
28.68

LogP / Solubility

WLOGP
3.24
MLOGP
2.85
XLogP3
3.4
Consensus LogP
3.16
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us