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CAS 452-70-0 4-Fluoro-m-cresol molecular structure lightbox
CAS RN: 452-70-0

4-Fluoro-m-cresol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260118 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-153002
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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, 10g, 25g, 100g
  • Available purity: >97%
  • 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 452-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

452-70-0 / 4-fluoro-3-methylphenol

Standard CAS: 452-70-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
452-70-0
Multi CAS
Yes
Molecular Formula
C7FH7O
Molecular Weight
126.130000
Exact Mass
126.048093
InChI
InChI=1S/C7H7FO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChIKey
RVYGYYVGWSCWGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.8
TPSA
20.23

LogP / Solubility

WLOGP
1.84
MLOGP
1.61
XLogP3
1.4
Consensus LogP
1.62
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.18

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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