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CAS 251902-52-0 2-Chloro-7-fluoro-6-methoxyquinoline-3-carbaldehyde molecular structure lightbox
CAS RN: 251902-52-0

2-Chloro-7-fluoro-6-methoxyquinoline-3-carbaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251122 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-120882
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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 251902-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

251902-52-0 / 2-chloro-7-fluoro-6-methoxyquinoline-3-carbaldehyde

Standard CAS: 251902-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
251902-52-0
Multi CAS
No
Molecular Formula
C11H7ClFNO2
Molecular Weight
239.630000
Exact Mass
239.014934
SMILES
COC1=CC2=CC(=C(N=C2C=C1F)Cl)C=O
InChI
InChI=1S/C11H7ClFNO2/c1-16-10-3-6-2-7(5-15)11(12)14-9(6)4-8(10)13/h2-5H,1H3
InChIKey
QKUWYCZGAMVPER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
58.65
TPSA
39.19

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
2.7
Consensus LogP
2.69
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

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

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