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CAS 52977-63-6 4,7-Dichloro-1-indanone molecular structure lightbox
CAS RN: 52977-63-6

4,7-Dichloro-1-indanone

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251013 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251026 1g In stock Shanghai, Wuhan Inquiry
Batchno.20251022 250mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250515 25g In stock Shanghai Inquiry
Batchno.20251124 5g In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS52977-63-6
  • Purity/Analytical Methods: >99.0%
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52977-63-6 / 4,7-dichloro-2,3-dihydroinden-1-one

Standard CAS: 52977-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52977-63-6
Multi CAS
No
Molecular Formula
C9H6CL2O
Molecular Weight
201.050000
Exact Mass
199.979570
InChI
InChI=1S/C9H6Cl2O/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2
InChIKey
CRYBQWFSLAUFPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
1
Molar refractivity
49.11
TPSA
17.07

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
2.9
Consensus LogP
2.92
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-1.73

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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