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CAS 5057-12-5 4,6,7,8-TETRAHYDRO-1H,3H-QUINOLINE-2,5-DIONE molecular structure lightbox
CAS RN: 5057-12-5

4,6,7,8-TETRAHYDRO-1H,3H-QUINOLINE-2,5-DIONE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260527 1g In stock Shanghai Inquiry
Batchno.20250704 250mg In stock Shanghai Inquiry
Batchno.20260419 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-157148
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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: 5g, 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 5057-12-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

5057-12-5 / 1,3,4,6,7,8-hexahydroquinoline-2,5-dione

Standard CAS: 5057-12-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5057-12-5
Multi CAS
Yes
Molecular Formula
C9H11NO2
Molecular Weight
165.190000
Exact Mass
165.078979
InChI
InChI=1S/C9H11NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-5H2,(H,10,12)
InChIKey
KNRFNTVMEIIKEB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.56
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.26
TPSA
46.17

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
-0.2
Consensus LogP
0.5
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-3.09

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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