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CAS 884494-67-1 4-AMINOINDOLE-6-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 884494-67-1

4-AMINOINDOLE-6-CARBOXYLIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251205 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS884494-67-1
  • Purity/Analytical Methods: >99.0%
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884494-67-1 / 4-amino-1H-indole-6-carboxylic acid

Standard CAS: 884494-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
884494-67-1
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
InChI
InChI=1S/C9H8N2O2/c10-7-3-5(9(12)13)4-8-6(7)1-2-11-8/h1-4,11H,10H2,(H,12,13)
InChIKey
IVBWTCKZKLVWMD-UHFFFAOYSA-N

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
49.67
TPSA
79.11

LogP / Solubility

WLOGP
1.45
MLOGP
1.27
XLogP3
0.9
Consensus LogP
1.21
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-2.77

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

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