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CAS 74513-16-9 TETRAHYDROPENTALENE-2,5-DIONE molecular structure lightbox
CAS RN: 74513-16-9

TETRAHYDROPENTALENE-2,5-DIONE

Product Availability

Choose a grade to view its available package options.

11 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 100g In stock Inquiry
Batchno.20260521 1g In stock Inquiry
Batchno.20250506 250mg In stock Inquiry
Batchno.20250220 25g In stock Inquiry
Batchno.20250823 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260118 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20260406 10g Out of stock Inquiry
Batchno.20250922 1g Out of stock Inquiry
Batchno.20260502 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250222 25g Out of stock Inquiry
Batchno.20250824 5g Out of stock Inquiry
  • Product code: SSC-183976
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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: 10g
  • 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 74513-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

74513-16-9 / 1,3,3a,4,6,6a-hexahydropentalene-2,5-dione

Standard CAS: 74513-16-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74513-16-9
Multi CAS
Yes
Molecular Formula
C8H10O2
Molecular Weight
138.160000
Exact Mass
138.068080
InChI
InChI=1S/C8H10O2/c9-7-1-5-2-8(10)4-6(5)3-7/h5-6H,1-4H2
InChIKey
HAFQHNGZPQYKFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
35.46
TPSA
34.14

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
-0.4
Consensus LogP
0.45
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
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)
-2.89

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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