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CAS 17190-77-1 2,2-dimethyl-1H-indene-1,3(2H)-dione molecular structure lightbox
CAS RN: 17190-77-1

2,2-dimethyl-1H-indene-1,3(2H)-dione

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250114 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-075643
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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: 1g, 0.25g, 5g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 17190-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 3 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry

17190-77-1 / 2,2-dimethylindene-1,3-dione

Standard CAS: 17190-77-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17190-77-1
Multi CAS
No
Molecular Formula
C11H10O2
Molecular Weight
174.200000
Exact Mass
174.068080
SMILES
CC1(C(=O)C2=CC=CC=C2C1=O)C
InChI
InChI=1S/C11H10O2/c1-11(2)9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,1-2H3
InChIKey
BNPBWSGZTORGIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.27
H-bond acceptors
2
Molar refractivity
48.88
TPSA
34.14

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.3
Consensus LogP
2.08
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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