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CAS 103854-64-4 8-METHOXY-QUINOLINE-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 103854-64-4

8-METHOXY-QUINOLINE-2-CARBALDEHYDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260626 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-005477
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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 103854-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

103854-64-4 / 8-methoxyquinoline-2-carbaldehyde

8-methoxyquinoline-2-carbaldehyde | 8-METHOXY-QUINOLINE-2-CARBALDEHYDE | MFCD05864557

Standard CAS: 103854-64-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103854-64-4
Multi CAS
No
Molecular Formula
C11H9NO2
Molecular Weight
187.190000
Exact Mass
187.063329
SMILES
COC1=CC=CC2=C1N=C(C=C2)C=O
InChI
InChI=1S/C11H9NO2/c1-14-10-4-2-3-8-5-6-9(7-13)12-11(8)10/h2-7H,1H3
InChIKey
WXFAZCYUMXZXBA-UHFFFAOYSA-N
Synonyms
8-methoxyquinoline-2-carbaldehyde 8-METHOXY-QUINOLINE-2-CARBALDEHYDE MFCD05864557 2-Quinolinecarboxaldehyde,8-methoxy- 2-formyl-8-methoxyquinoline

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.68
TPSA
39.19

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
2
Consensus LogP
1.96
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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