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CAS 1176089-41-0 3-(Boc-aMino)-6-fluoro-1H-indazole molecular structure lightbox
CAS RN: 1176089-41-0

3-(Boc-aMino)-6-fluoro-1H-indazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250130 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-017453
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1176089-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

1176089-41-0 / tert-butyl N-(6-fluoro-1H-indazol-3-yl)carbamate

3-(Boc-amino)-6-fluoro-1H-indazole | tert-Butyl (6-fluoro-1H-indazol-3-yl)carbamate | TERT-BUTYL N-(6-FLUORO-1H-INDAZOL-3-YL)CARBAMATE

Standard CAS: 1176089-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1176089-41-0
Multi CAS
No
Molecular Formula
C12H14FN3O2
Molecular Weight
251.260000
Exact Mass
251.107005
SMILES
CC(C)(C)OC(=O)NC1=NNC2=C1C=CC(=C2)F
InChI
InChI=1S/C12H14FN3O2/c1-12(2,3)18-11(17)14-10-8-5-4-7(13)6-9(8)15-16-10/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKey
KDUYTDJDFFONOE-UHFFFAOYSA-N
Synonyms
3-(Boc-amino)-6-fluoro-1H-indazole tert-Butyl (6-fluoro-1H-indazol-3-yl)carbamate TERT-BUTYL N-(6-FLUORO-1H-INDAZOL-3-YL)CARBAMATE MFCD18651681 AKOS022183205

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.91
TPSA
67.01

LogP / Solubility

WLOGP
3.05
MLOGP
2.69
XLogP3
2.6
Consensus LogP
2.78
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

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

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