[email protected]
CAS 1082041-57-3 5-Fluoro-6-Methoxy (1H)indazole molecular structure lightbox
CAS RN: 1082041-57-3

5-Fluoro-6-Methoxy (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.20250405 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1082041-57-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1082041-57-3 / 5-fluoro-6-methoxy-1H-indazole

5-fluoro-6-methoxy-1H-indazole | 5-Fluoro-6-methoxy (1H)indazole | MFCD11007884

Standard CAS: 1082041-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1082041-57-3
Multi CAS
No
Molecular Formula
C8H7FN2O
Molecular Weight
166.150000
Exact Mass
166.054241
SMILES
COC1=C(C=C2C=NNC2=C1)F
InChI
InChI=1S/C8H7FN2O/c1-12-8-3-7-5(2-6(8)9)4-10-11-7/h2-4H,1H3,(H,10,11)
InChIKey
LRZOIHJWVOMLGA-UHFFFAOYSA-N
Synonyms
5-fluoro-6-methoxy-1H-indazole 5-Fluoro-6-methoxy (1H)indazole MFCD11007884 SCHEMBL24358770 DTXSID801306075

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.6
TPSA
37.91

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.6
Consensus LogP
1.6
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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

Get In Touch

Contact Us