CAS RN: 102714-93-2
1,1′-Biphenyl, 2-fluoro-4,4′-bis(trans-4-propylcyclohexyl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250220 | 1g / 5g / 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-004040
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
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
102714-93-2 / 2-fluoro-4-(4-propylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
1,1'-Biphenyl, 2-fluoro-4,4'-bis(trans-4-propylcyclohexyl)- | 4,4'-Bis(trans-4-propylcyclohexyl)-2-fluorobiphenyl | 2-Fluoro-4,4'-bis(trans-4-propylcyclohexyl)biphenyl
Basic Information
CAS
102714-93-2
Multi CAS
Yes
Molecular Formula
C30H41F
Molecular Weight
420.600000
Exact Mass
420.319229
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4CCC(CC4)CCC)F
InChI
InChI=1S/C30H41F/c1-3-5-22-7-11-24(12-8-22)25-15-17-27(18-16-25)29-20-19-28(21-30(29)31)26-13-9-23(6-4-2)10-14-26/h15-24,26H,3-14H2,1-2H3
InChIKey
SRJLZDPWUSOULH-UHFFFAOYSA-N
Synonyms
1,1'-Biphenyl, 2-fluoro-4,4'-bis(trans-4-propylcyclohexyl)-
4,4'-Bis(trans-4-propylcyclohexyl)-2-fluorobiphenyl
2-Fluoro-4,4'-bis(trans-4-propylcyclohexyl)biphenyl
2-Fluoro-4,4'-bis((1s,4r)-4-propylcyclohexyl)-1,1'-biphenyl
MFCD11053361
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
131.05
TPSA
0.0000
LogP / Solubility
WLOGP
9.64
MLOGP
8.51
XLogP3
11.4
Consensus LogP
9.85
Log S (ESOL)
-8.35
Class (ESOL)
Insoluble
Log S (Ali)
-9.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.24
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)
1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
