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CAS 115662-09-4 8-Hydroxy-1,1,7,7-tetramethyljulolidine-9-carboxaldehyde molecular structure lightbox
CAS RN: 115662-09-4

8-Hydroxy-1,1,7,7-tetramethyljulolidine-9-carboxaldehyde

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250713 200mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251026 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-015439
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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: ＞97%
  • 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 115662-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

115662-09-4 / 6-hydroxy-4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carbaldehyde

8-HYDROXY-1,1,7,7-TETRAMETHYL-2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE-9-CARBOXALDEHYDE | 8-Hydroxy-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido(3,2,1-ij)quinoline-9-carboxaldehyde | RefChem:548124

Standard CAS: 115662-09-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115662-09-4
Multi CAS
No
Molecular Formula
C17H23NO2
Molecular Weight
273.370000
Exact Mass
273.172879
SMILES
CC1(CCN2CCC(C3=C(C(=CC1=C32)C=O)O)(C)C)C
InChI
InChI=1S/C17H23NO2/c1-16(2)5-7-18-8-6-17(3,4)13-14(18)12(16)9-11(10-19)15(13)20/h9-10,20H,5-8H2,1-4H3
InChIKey
ZBVWJSQPIHQKQJ-UHFFFAOYSA-N
Synonyms
8-HYDROXY-1,1,7,7-TETRAMETHYL-2,3,6,7-TETRAHYDRO-1H,5H-PYRIDO[3,2,1-IJ]QUINOLINE-9-CARBOXALDEHYDE 8-Hydroxy-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrido(3,2,1-ij)quinoline-9-carboxaldehyde RefChem:548124 890-048-6 8-Hydroxy-1,1,7,7-tetramethyljulolidine-9-carboxaldehyde

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.99
TPSA
40.54

LogP / Solubility

WLOGP
3.37
MLOGP
2.98
XLogP3
4.2
Consensus LogP
3.52
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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