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CAS 219873-06-0 4-Cyano-2-fluorobenzyl alcohol molecular structure lightbox
CAS RN: 219873-06-0

4-Cyano-2-fluorobenzyl alcohol

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251030 100g In stock Inquiry
Batchno.20260123 1g In stock Inquiry
Batchno.20251104 25g In stock Inquiry
Batchno.20250112 5g In stock Inquiry
  • Product code: SSC-105759
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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: 1g, 5g, 10g, 25g, 100g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • 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 219873-06-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
25g >98% 5 In Stock Beijing Inquiry
100g >98% 0 Out of Stock Hong Kong Inquiry
500g >98% 0 Out of Stock Shenzhen Inquiry

219873-06-0 / 3-fluoro-4-(hydroxymethyl)benzonitrile

Standard CAS: 219873-06-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219873-06-0
Multi CAS
No
Molecular Formula
C8H6FNO
Molecular Weight
151.140000
Exact Mass
151.043342
SMILES
C1=CC(=C(C=C1C#N)F)CO
InChI
InChI=1S/C8H6FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2
InChIKey
YGAURRAHPYQHDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.04
TPSA
44.02

LogP / Solubility

WLOGP
1.19
MLOGP
1.04
XLogP3
0.9
Consensus LogP
1.04
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-2.8

Drug-likeness / Medicinal Chemistry

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

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