[email protected]
CAS 1202709-15-6 (5-Fluoro-1H-indol-2-yl)boronic acid molecular structure lightbox
CAS RN: 1202709-15-6

(5-Fluoro-1H-indol-2-yl)boronic acid

  • Product code: SSC-021120
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: 1g
  • 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 1202709-15-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1202709-15-6 / (5-fluoro-1H-indol-2-yl)boronic acid

(5-fluoro-1H-indol-2-yl)boronic acid | 5-FLUORO-1H-INDOLE-2-BORONIC ACID | 5-Fluoroindole-2-boronic Acid

Standard CAS: 1202709-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1202709-15-6
Multi CAS
No
Molecular Formula
C8H7BFNO2
Molecular Weight
178.960000
Exact Mass
179.055387
SMILES
B(C1=CC2=C(N1)C=CC(=C2)F)(O)O
InChI
InChI=1S/C8H7BFNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11-13H
InChIKey
FURMOEZNGAUTMY-UHFFFAOYSA-N
Synonyms
(5-fluoro-1H-indol-2-yl)boronic acid 5-FLUORO-1H-INDOLE-2-BORONIC ACID 5-Fluoroindole-2-boronic Acid MFCD11506060 SCHEMBL7493009

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
48.08
TPSA
56.25

LogP / Solubility

WLOGP
-0.01
MLOGP
-0.01
XLogP3
-0.01
Consensus LogP
-0.01
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us