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CAS 1156704-69-6 1H-Indole, 7-bromo-5-fluoro-2,3-dihydro- molecular structure lightbox
CAS RN: 1156704-69-6

1H-Indole, 7-bromo-5-fluoro-2,3-dihydro-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250107 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1156704-69-6
  • Purity/Analytical Methods: >99.0%
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1156704-69-6 / 7-bromo-5-fluoro-2,3-dihydro-1H-indole

7-Bromo-5-fluoroindoline | 7-bromo-5-fluoro-2,3-dihydro-1H-indole | MFCD12092126

Standard CAS: 1156704-69-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1156704-69-6
Multi CAS
No
Molecular Formula
C8H7BrFN
Molecular Weight
216.050000
Exact Mass
214.974590
SMILES
C1CNC2=C1C=C(C=C2Br)F
InChI
InChI=1S/C8H7BrFN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h3-4,11H,1-2H2
InChIKey
JQXHUCPLRPTHKR-UHFFFAOYSA-N
Synonyms
7-Bromo-5-fluoroindoline 7-bromo-5-fluoro-2,3-dihydro-1H-indole MFCD12092126 7-bromo-5-fluoro-indoline AKOS009807975

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.29
TPSA
12.03

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.7
Consensus LogP
2.5
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.22

Drug-likeness / Medicinal Chemistry

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

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