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CAS 119990-81-7 trans,trans-3,4-Difluoro-4′-(4′-propylbicyclohexyl-4-yl)biphenyl molecular structure lightbox
CAS RN: 119990-81-7

trans,trans-3,4-Difluoro-4′-(4′-propylbicyclohexyl-4-yl)biphenyl

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250531 200mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251002 100g In stock Shenzhen, Tianjin Inquiry
Batchno.20250709 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250127 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-020762
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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 119990-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

119990-81-7 / 1,2-difluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

1,2-difluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene | 3,4-Difluoro-4'-((trans,trans)-4'-propyl-[1,1'-bi(cyclohexan)]-4-yl)-1,1'-biphenyl | trans,trans-4'-(4'-Propylbicyclohexyl-4-yl)-3,4-difluorobiphenyl

Standard CAS: 119990-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119990-81-7
Multi CAS
No
Molecular Formula
C27H34F2
Molecular Weight
396.600000
Exact Mass
396.262857
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C=C4)F)F
InChI
InChI=1S/C27H34F2/c1-2-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-26(28)27(29)18-25/h12-22H,2-11H2,1H3
InChIKey
DOTCXRSWJCSMMA-UHFFFAOYSA-N
Synonyms
1,2-difluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene 3,4-Difluoro-4'-((trans,trans)-4'-propyl-[1,1'-bi(cyclohexan)]-4-yl)-1,1'-biphenyl trans,trans-4'-(4'-Propylbicyclohexyl-4-yl)-3,4-difluorobiphenyl MFCD11053440 TRANS,TRANS-4''-(4''-PROPYLBICYCLOHEXYL-4-YL)-3,4-DIFLUOROBIPHENYL

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
116.85
TPSA
0.0000

LogP / Solubility

WLOGP
8.51
MLOGP
7.51
XLogP3
10.1
Consensus LogP
8.71
Log S (ESOL)
-7.64
Class (ESOL)
Insoluble
Log S (Ali)
-8.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.9
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)
0.9

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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