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CAS 99896-05-6 trans,trans-2-Fluor-4-(4-pentylcyclohexyl)-4′-(4-propyl-cyclohexyl)-1,1′-biphenyl molecular structure lightbox
CAS RN: 99896-05-6

trans,trans-2-Fluor-4-(4-pentylcyclohexyl)-4′-(4-propyl-cyclohexyl)-1,1′-biphenyl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251231 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-213402
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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: 10g
  • 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 99896-05-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

99896-05-6 / 2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene

Standard CAS: 99896-05-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99896-05-6
Multi CAS
No
Molecular Formula
C32H45F
Molecular Weight
448.700000
Exact Mass
448.350530
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4CCC(CC4)CCC)F
InChI
InChI=1S/C32H45F/c1-3-5-6-8-25-11-13-26(14-12-25)27-17-19-29(20-18-27)31-22-21-30(23-32(31)33)28-15-9-24(7-4-2)10-16-28/h17-26,28H,3-16H2,1-2H3
InChIKey
ZNSSVBKDGHSLQE-UHFFFAOYSA-N

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

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