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CAS 19576-08-0 2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione molecular structure lightbox
CAS RN: 19576-08-0

2,3,7,7a-Tetrahydro-7a-methyl-1H-indene-1,5(6H)-dione

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260401 200mg In stock Shanghai Inquiry
  • Product code: SSC-092576
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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: ＞95%
  • 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 19576-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

19576-08-0 / 7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione

Standard CAS: 19576-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19576-08-0
Multi CAS
No
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
SMILES
CC12CCC(=O)C=C1CCC2=O
InChI
InChI=1S/C10H12O2/c1-10-5-4-8(11)6-7(10)2-3-9(10)12/h6H,2-5H2,1H3
InChIKey
FNYAZSZTENLTRT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.6
H-bond acceptors
2
Molar refractivity
44.67
TPSA
34.14

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
0.3
Consensus LogP
1.13
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-2.55

Drug-likeness / Medicinal Chemistry

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

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