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CAS 1167056-91-8 4-bromo-1H-indol-7-ol molecular structure lightbox
CAS RN: 1167056-91-8

4-bromo-1H-indol-7-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250823 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1167056-91-8
  • Purity/Analytical Methods: >99.0%
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1167056-91-8 / 4-bromo-1H-indol-7-ol

4-bromo-1H-indol-7-ol | MFCD12405097 | DTXSID70676458

Standard CAS: 1167056-91-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1167056-91-8
Multi CAS
Yes
Molecular Formula
C8H6BrNO
Molecular Weight
212.040000
Exact Mass
210.963280
SMILES
C1=CC(=C2C=CNC2=C1O)Br
InChI
InChI=1S/C8H6BrNO/c9-6-1-2-7(11)8-5(6)3-4-10-8/h1-4,10-11H
InChIKey
KBXCLTPQVXMQOZ-UHFFFAOYSA-N
Synonyms
4-bromo-1H-indol-7-ol MFCD12405097 DTXSID70676458 1H-INDOL-7-OL, 4-BROMO- AKOS015898553

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
47.66
TPSA
36.02

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.14

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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