CAS RN: 88878-50-6
TRANS,TRANS-4-FLUOROPHENYL 4”-PENTYLBICYCLOHEXYL-4-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: SSC-200600
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
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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
88878-50-6 / (4-fluorophenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
Basic Information
CAS
88878-50-6
Multi CAS
Yes
Molecular Formula
C24FH35O2
Molecular Weight
374.500000
Exact Mass
374.262109
InChI
InChI=1S/C24H35FO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24(26)27-23-16-14-22(25)15-17-23/h14-21H,2-13H2,1H3
InChIKey
ZVCPJOLFAYLVER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
107.07
TPSA
26.3
LogP / Solubility
WLOGP
6.92
MLOGP
6.11
XLogP3
8.7
Consensus LogP
7.24
Log S (ESOL)
-6.23
Class (ESOL)
Insoluble
Log S (Ali)
-7.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.68
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)
-0.09
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
2.5
Customers Also Viewed
-
-
4-hydroxybicyclo[2.2.1]heptane-1-carboxylic acid
- CAS RN: 88888-30-6
- Product Code: SSC-200604
-
methyl 4-hydroxybicyclo[2.2.1]heptane-1-carboxylate
- CAS RN: 88888-31-7
- Product Code: SSC-200605
-
6-Methyl-5-nitropyrimidine-2,4(1H,3H)-dione
- CAS RN: 88890-66-8
- Product Code: starshine_CAS88890-66-8
- Purity/Analytical method: >99.0%
-
ATRIAL NATRIURETIC FACTOR (1-28) (RAT)
- CAS RN: 88898-17-3
- Product Code: starshine_CAS88898-17-3
- Purity/Analytical method: >99.0%
-
BZ-PHE-VAL-ARG-AMC
- CAS RN: 88899-22-3
- Product Code: starshine_CAS88899-22-3
- Purity/Analytical method: >99.0%
![CAS 88888-30-6 4-hydroxybicyclo[2.2.1]heptane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/88888-30-6.gif)
![CAS 88888-31-7 methyl 4-hydroxybicyclo[2.2.1]heptane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/88888-31-7.gif)
