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CAS 1260011-25-3 5-Chloro-7-hydroxy-indan-1-one molecular structure lightbox
CAS RN: 1260011-25-3

5-Chloro-7-hydroxy-indan-1-one

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5 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250821 100mg Out of stock Inquiry
Batchno.20260408 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20260115 1g Out of stock Inquiry
Batchno.20260628 250mg Out of stock Inquiry
Batchno.20250920 5g Out of stock Inquiry
  • Product code: starshine_CAS1260011-25-3
  • Purity/Analytical Methods: >99.0%
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1260011-25-3 / 5-chloro-7-hydroxy-2,3-dihydroinden-1-one

Standard CAS: 1260011-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260011-25-3
Multi CAS
No
Molecular Formula
C9H7ClO2
Molecular Weight
182.600000
Exact Mass
182.013457
SMILES
C1CC(=O)C2=C1C=C(C=C2O)Cl
InChI
InChI=1S/C9H7ClO2/c10-6-3-5-1-2-7(11)9(5)8(12)4-6/h3-4,12H,1-2H2
InChIKey
SPHSTHMDYUGVKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.77
TPSA
37.3

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.5
Consensus LogP
2.19
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.29

Drug-likeness / Medicinal Chemistry

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

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