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CAS 24127-36-4 2-CHLORO-6,7,8,9-TETRAHYDRO-BENZOCYCLOHEPTEN-5-ONE molecular structure lightbox
CAS RN: 24127-36-4

2-CHLORO-6,7,8,9-TETRAHYDRO-BENZOCYCLOHEPTEN-5-ONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-117689
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 24127-36-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

24127-36-4 / 2-chloro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

Standard CAS: 24127-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24127-36-4
Multi CAS
No
Molecular Formula
C11H11ClO
Molecular Weight
194.660000
Exact Mass
194.049843
SMILES
C1CCC(=O)C2=C(C1)C=C(C=C2)Cl
InChI
InChI=1S/C11H11ClO/c12-9-5-6-10-8(7-9)3-1-2-4-11(10)13/h5-7H,1-4H2
InChIKey
IJVMAZHBJAEZEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
H-bond acceptors
1
Molar refractivity
53.34
TPSA
17.07

LogP / Solubility

WLOGP
3.25
MLOGP
2.86
XLogP3
3.2
Consensus LogP
3.1
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-1.6

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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