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CAS 21597-61-5 3-Fluoro-naphthalene-2-carboxaldehyde molecular structure lightbox
CAS RN: 21597-61-5

3-Fluoro-naphthalene-2-carboxaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250926 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-103511
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 21597-61-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g -- 2 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g -- 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry

21597-61-5 / 3-fluoronaphthalene-2-carbaldehyde

Standard CAS: 21597-61-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21597-61-5
Multi CAS
No
Molecular Formula
C11H7FO
Molecular Weight
174.170000
Exact Mass
174.048093
SMILES
C1=CC=C2C=C(C(=CC2=C1)C=O)F
InChI
InChI=1S/C11H7FO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-7H
InChIKey
XSGLOQVCNBSCHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
49.29
TPSA
17.07

LogP / Solubility

WLOGP
2.79
MLOGP
2.45
XLogP3
2.7
Consensus LogP
2.65
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-1.8

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

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