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CAS 3970-51-2 5-CHLORO-1H-INDENE molecular structure lightbox
CAS RN: 3970-51-2

5-CHLORO-1H-INDENE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251119 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS3970-51-2
  • Purity/Analytical Methods: >99.0%
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3970-51-2 / 5-chloro-1H-indene

Standard CAS: 3970-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3970-51-2
Multi CAS
No
Molecular Formula
C9H7CL
Molecular Weight
150.600000
Exact Mass
150.023628
InChI
InChI=1S/C9H7Cl/c10-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2
InChIKey
UYDGBPWSONPHKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.11
Molar refractivity
44.19
TPSA
0.0000

LogP / Solubility

WLOGP
2.91
MLOGP
2.55
XLogP3
3.5
Consensus LogP
2.99
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-1.57

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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