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CAS 934660-16-9 5-Bromo-6-chloro-1H-indole-2-carboxylic acid molecular structure lightbox
CAS RN: 934660-16-9

5-Bromo-6-chloro-1H-indole-2-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS934660-16-9
  • Purity/Analytical Methods: >99.0%
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934660-16-9 / 5-bromo-6-chloro-1H-indole-2-carboxylic acid

Standard CAS: 934660-16-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
934660-16-9
Multi CAS
No
Molecular Formula
C9H5BRCLNO2
Molecular Weight
274.500000
Exact Mass
272.919220
InChI
InChI=1S/C9H5BrClNO2/c10-5-1-4-2-8(9(13)14)12-7(4)3-6(5)11/h1-3,12H,(H,13,14)
InChIKey
ITELQQXEWUFNLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
57.97
TPSA
53.09

LogP / Solubility

WLOGP
3.28
MLOGP
2.9
XLogP3
3.2
Consensus LogP
3.13
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
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)
-2.06

Drug-likeness / Medicinal Chemistry

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

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