[email protected]
CAS 1305320-59-5 1-Boc-7-fluoro-1H-indazole molecular structure lightbox
CAS RN: 1305320-59-5

1-Boc-7-fluoro-1H-indazole

  • Product code: SSC-037149
GET A QUOTE
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, 0.25g, 5g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1305320-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
0.25g -- 3 In Stock Hong Kong Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry
5g -- 3 In Stock Hong Kong Inquiry
5g >95% 3 In Stock Shanghai Inquiry
0.1g -- 0 Out of Stock Hong Kong Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry

1305320-59-5 / tert-butyl 7-fluoroindazole-1-carboxylate

Standard CAS: 1305320-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1305320-59-5
Multi CAS
No
Molecular Formula
C12H13FN2O2
Molecular Weight
236.240000
Exact Mass
236.096106
SMILES
CC(C)(C)OC(=O)N1C2=C(C=CC=C2F)C=N1
InChI
InChI=1S/C12H13FN2O2/c1-12(2,3)17-11(16)15-10-8(7-14-15)5-4-6-9(10)13/h4-7H,1-3H3
InChIKey
FCONSWGCHISOGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
61.32
TPSA
44.12

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
2.9
Consensus LogP
2.82
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
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)
-2.06

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