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CAS 106960-78-5 ETHYL 5-OXO-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE molecular structure lightbox
CAS RN: 106960-78-5

ETHYL 5-OXO-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260214 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-008436
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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 106960-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

106960-78-5 / ethyl 5-oxo-7,8-dihydro-6H-quinoline-3-carboxylate

Ethyl 5-Oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate | ETHYL 5-OXO-7,8-DIHYDRO-6H-QUINOLINE-3-CARBOXYLATE | MFCD08669650

Standard CAS: 106960-78-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106960-78-5
Multi CAS
Yes
Molecular Formula
C12H13NO3
Molecular Weight
219.240000
Exact Mass
219.089543
SMILES
CCOC(=O)C1=CC2=C(CCCC2=O)N=C1
InChI
InChI=1S/C12H13NO3/c1-2-16-12(15)8-6-9-10(13-7-8)4-3-5-11(9)14/h6-7H,2-5H2,1H3
InChIKey
XIJNJSGZCDFBRJ-UHFFFAOYSA-N
Synonyms
Ethyl 5-Oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate ETHYL 5-OXO-7,8-DIHYDRO-6H-QUINOLINE-3-CARBOXYLATE MFCD08669650 5-OXO-5,6,7,8-TETRAHYDRO-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER ethyl 5-oxo-6,7,8-trihydroquinoline-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
57.46
TPSA
56.26

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
1.2
Consensus LogP
1.52
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.8

Drug-likeness / Medicinal Chemistry

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

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