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CAS 1000339-93-4 2-Cyano-5-fluorobenzyl alcohol molecular structure lightbox
CAS RN: 1000339-93-4

2-Cyano-5-fluorobenzyl alcohol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-000088
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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: 5g
  • 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 1000339-93-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1000339-93-4 / 4-fluoro-2-(hydroxymethyl)benzonitrile

4-Fluoro-2-(hydroxymethyl)benzonitrile | 1000339-93-4 | 2-Cyano-5-fluorobenzyl alcohol

Standard CAS: 1000339-93-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000339-93-4
Multi CAS
Yes
Molecular Formula
C8H6FNO
Molecular Weight
151.140000
Exact Mass
151.043342
SMILES
C1=CC(=C(C=C1F)CO)C#N
InChI
InChI=1S/C8H6FNO/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,11H,5H2
InChIKey
NJSSPVGHLXWQFD-UHFFFAOYSA-N
Synonyms
4-Fluoro-2-(hydroxymethyl)benzonitrile 1000339-93-4 2-Cyano-5-fluorobenzyl alcohol 4-Fluoro-2-hydroxymethylbenzonitrile MFCD09864693

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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