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CAS 875551-28-3 2′-(chloroMethyl)-4-fluoro-5-isopropyl-2-Methoxy-4′-(trifluoroMethyl)-1,1′-biphenyl molecular structure lightbox
CAS RN: 875551-28-3

2′-(chloroMethyl)-4-fluoro-5-isopropyl-2-Methoxy-4′-(trifluoroMethyl)-1,1′-biphenyl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250505 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-197664
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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 875551-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

875551-28-3 / 1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]-4-fluoro-2-methoxy-5-propan-2-ylbenzene

Standard CAS: 875551-28-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
875551-28-3
Multi CAS
Yes
Molecular Formula
C18H17CLF4O
Molecular Weight
360.800000
Exact Mass
360.090406
InChI
InChI=1S/C18H17ClF4O/c1-10(2)14-7-15(17(24-3)8-16(14)20)13-5-4-12(18(21,22)23)6-11(13)9-19/h4-8,10H,9H2,1-3H3
InChIKey
MWZUUGNGGXWZKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
87.04
TPSA
9.23

LogP / Solubility

WLOGP
6.38
MLOGP
5.64
XLogP3
6
Consensus LogP
6.01
Log S (ESOL)
-6.2
Class (ESOL)
Insoluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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