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CAS 120686-08-0 Spiro[1,3-dioxolane-2,6′(2’H)-quinolin]-2′-one, 1′,5′,7′,8′-tetrahydro- molecular structure lightbox
CAS RN: 120686-08-0

Spiro[1,3-dioxolane-2,6′(2’H)-quinolin]-2′-one, 1′,5′,7′,8′-tetrahydro-

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260324 100mg In stock Shanghai Inquiry
Batchno.20250531 1g In stock Shanghai Inquiry
Batchno.20250418 250mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250216 100mg In stock Shanghai Inquiry
  • Product code: SSC-021766
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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 120686-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

120686-08-0 / spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]-2'-one

1,5,7,8-Tetrahydro-2H-spiro[quinoline-6,2'-[1,3]dioxolan]-2-one | MFCD17676260 | Spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]-2'-one

Standard CAS: 120686-08-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120686-08-0
Multi CAS
Yes
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
SMILES
C1CC2(CC3=C1NC(=O)C=C3)OCCO2
InChI
InChI=1S/C11H13NO3/c13-10-2-1-8-7-11(14-5-6-15-11)4-3-9(8)12-10/h1-2H,3-7H2,(H,12,13)
InChIKey
LRJILKSBZWGQKL-UHFFFAOYSA-N
Synonyms
1,5,7,8-Tetrahydro-2H-spiro[quinoline-6,2'-[1,3]dioxolan]-2-one MFCD17676260 Spiro[1,3-dioxolane-2,6'-1,5,7,8-tetrahydroquinoline]-2'-one Spiro[1,3-dioxolane-2,6'(2'H)-quinolin]-2'-one, 1',5',7',8'-tetrahydro- 2',5',7',8'-tetrahydro-1'H-spiro[1,3-dioxolane-2,6'-quinolin]-2'-one

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.72
TPSA
51.32

LogP / Solubility

WLOGP
0.61
MLOGP
0.53
XLogP3
-0.1
Consensus LogP
0.35
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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