[email protected]
CAS 1208459-96-4 N-(BOC)-6-fluoro-indole molecular structure lightbox
CAS RN: 1208459-96-4

N-(BOC)-6-fluoro-indole

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260427 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-022192
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1208459-96-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1208459-96-4 / tert-butyl 6-fluoroindole-1-carboxylate

1-Boc-6-Fluoro-1H-indole | N-(BOC)-6-fluoroindole | tert-butyl 6-fluoro-1H-indole-1-carboxylate

Standard CAS: 1208459-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1208459-96-4
Multi CAS
No
Molecular Formula
C13H14FNO2
Molecular Weight
235.250000
Exact Mass
235.100857
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)F
InChI
InChI=1S/C13H14FNO2/c1-13(2,3)17-12(16)15-7-6-9-4-5-10(14)8-11(9)15/h4-8H,1-3H3
InChIKey
JYJYZNQHVVDOIE-UHFFFAOYSA-N
Synonyms
1-Boc-6-Fluoro-1H-indole N-(BOC)-6-fluoroindole tert-butyl 6-fluoro-1H-indole-1-carboxylate tert-butyl 6-fluoroindole-1-carboxylate MFCD09909713

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.53
TPSA
31.23

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
3.4
Consensus LogP
3.37
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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)
-1.62

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