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CAS 252004-38-9 Benzenemethanol, 2-fluoro-4-methyl- (9CI) molecular structure lightbox
CAS RN: 252004-38-9

Benzenemethanol, 2-fluoro-4-methyl- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250615 1g / 5g / 10g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-120926
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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 252004-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

252004-38-9 / (2-fluoro-4-methylphenyl)methanol

Standard CAS: 252004-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252004-38-9
Multi CAS
No
Molecular Formula
C8H9FO
Molecular Weight
140.150000
Exact Mass
140.063743
SMILES
CC1=CC(=C(C=C1)CO)F
InChI
InChI=1S/C8H9FO/c1-6-2-3-7(5-10)8(9)4-6/h2-4,10H,5H2,1H3
InChIKey
AAXNIIRIRHQSSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.06
TPSA
20.23

LogP / Solubility

WLOGP
1.63
MLOGP
1.42
XLogP3
1.5
Consensus LogP
1.52
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-2.42

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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