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CAS 63220-48-4 7-chloro-1-methyl-1H-indole-2,3-dione(SALTDATA: FREE) molecular structure lightbox
CAS RN: 63220-48-4

7-chloro-1-methyl-1H-indole-2,3-dione(SALTDATA: FREE)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS63220-48-4
  • Purity/Analytical Methods: >99.0%
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63220-48-4 / 7-chloro-1-methylindole-2,3-dione

Standard CAS: 63220-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63220-48-4
Multi CAS
No
Molecular Formula
C9H6CLNO2
Molecular Weight
195.600000
Exact Mass
195.008706
InChI
InChI=1S/C9H6ClNO2/c1-11-7-5(8(12)9(11)13)3-2-4-6(7)10/h2-4H,1H3
InChIKey
JRICJMZRQHSQKB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
49.19
TPSA
37.38

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.2
Consensus LogP
1.34
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.85

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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