[email protected]
CAS 22118-00-9 2,3,4,5,6,7-Hexahydro-1H-indene-1-one molecular structure lightbox
CAS RN: 22118-00-9

2,3,4,5,6,7-Hexahydro-1H-indene-1-one

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-106401
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22118-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 1 In Stock Beijing Inquiry

22118-00-9 / 2,3,4,5,6,7-hexahydroinden-1-one

Standard CAS: 22118-00-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22118-00-9
Multi CAS
No
Molecular Formula
C9H12O
Molecular Weight
136.190000
Exact Mass
136.088815
SMILES
C1CCC2=C(C1)CCC2=O
InChI
InChI=1S/C9H12O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-6H2
InChIKey
VKMPHJINXYTSIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
H-bond acceptors
1
Molar refractivity
39.74
TPSA
17.07

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
1.5
Consensus LogP
1.89
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-1.97

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us