CAS RN: 253199-08-5
TRANS,TRANS-4”-(4-ETHOXY-2,3-DIFLUORO-PHENYL)-4-ETHYL-BICYCLOHEXYL
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260619 | 100g | In stock | Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20250901 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260410 | 5g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251126 | 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS253199-08-5
- Purity/Analytical Methods: >99.0%
253199-08-5 / 1-ethoxy-4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluorobenzene
Basic Information
CAS
253199-08-5
Multi CAS
No
Molecular Formula
C22H32F2O
Molecular Weight
350.500000
Exact Mass
350.242122
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C22H32F2O/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23/h13-18H,3-12H2,1-2H3
InChIKey
ZMZVSCAMMZODSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
97.97
TPSA
9.23
LogP / Solubility
WLOGP
6.85
MLOGP
6.05
XLogP3
8.2
Consensus LogP
7.03
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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