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CAS 106349-49-9 2-Fluoro-4-(trans-4-pentylcyclohexyl)-4′-(trans-4-propylcyclohexyl)biphenyl molecular structure lightbox
CAS RN: 106349-49-9

2-Fluoro-4-(trans-4-pentylcyclohexyl)-4′-(trans-4-propylcyclohexyl)biphenyl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251121 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-008045
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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: 25g
  • 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 106349-49-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

106349-49-9 / 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene

2-Fluoro-4-((1s,4r)-4-pentylcyclohexyl)-4'-((1s,4r)-4-propylcyclohexyl)-1,1'-biphenyl | 2-Fluoro-4-(trans-4-pentylcyclohexyl)-4'-(trans-4-propylcyclohexyl)biphenyl | MFCD11053473

Standard CAS: 106349-49-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106349-49-9
Multi CAS
Yes
Molecular Formula
C32H45F
Molecular Weight
448.700000
Exact Mass
448.350530
SMILES
CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC)F
InChI
InChI=1S/C32H45F/c1-3-5-6-8-25-11-15-28(16-12-25)30-21-22-31(32(33)23-30)29-19-17-27(18-20-29)26-13-9-24(7-4-2)10-14-26/h17-26,28H,3-16H2,1-2H3
InChIKey
SYCNHFWYTQQMNG-UHFFFAOYSA-N
Synonyms
2-Fluoro-4-((1s,4r)-4-pentylcyclohexyl)-4'-((1s,4r)-4-propylcyclohexyl)-1,1'-biphenyl 2-Fluoro-4-(trans-4-pentylcyclohexyl)-4'-(trans-4-propylcyclohexyl)biphenyl MFCD11053473 2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene 4-(TRANS-4-PENTYLCYCLOHEXYL)-4''-(TRANS-4-PROPYLCYCLOHEXYL)-2-FLUOROBIPHENYL

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
140.28
TPSA
0.0000

LogP / Solubility

WLOGP
10.42
MLOGP
9.2
XLogP3
12.5
Consensus LogP
10.71
Log S (ESOL)
-8.86
Class (ESOL)
Insoluble
Log S (Ali)
-10.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.31
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)
1.94

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
3

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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