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CAS 65738-56-9 methyl 5-chloro-1-oxo-2,3-dihydro-1H-indene-2-carboxylate molecular structure lightbox
CAS RN: 65738-56-9

methyl 5-chloro-1-oxo-2,3-dihydro-1H-indene-2-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250912 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: LINH926803
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65738-56-9 / methyl 6-chloro-3-oxo-1,2-dihydroindene-2-carboxylate

Standard CAS: 65738-56-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
65738-56-9
Multi CAS
No
Molecular Formula
C11H9CLO3
Molecular Weight
224.640000
Exact Mass
224.024022
InChI
InChI=1S/C11H9ClO3/c1-15-11(14)9-5-6-4-7(12)2-3-8(6)10(9)13/h2-4,9H,5H2,1H3
InChIKey
BYUCBODSULLYIS-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
54.99
TPSA
43.37

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
2.4
Consensus LogP
1.97
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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