CAS RN: 334826-59-4
TRANS-1-ETHOXY-4-(2-(4-(4-ETHYLCYCLOHEXYL)PHENYL)ETHYNYL)BENZENE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS334826-59-4
- Purity/Analytical Methods: >99.0%
334826-59-4 / 1-ethoxy-4-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]benzene
Basic Information
CAS
334826-59-4
Multi CAS
No
Molecular Formula
C24H28O
Molecular Weight
332.500000
Exact Mass
332.214016
InChI
InChI=1S/C24H28O/c1-3-19-7-13-22(14-8-19)23-15-9-20(10-16-23)5-6-21-11-17-24(18-12-21)25-4-2/h9-12,15-19,22H,3-4,7-8,13-14H2,1-2H3
InChIKey
MLNOMZBLUALVDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
105.02
TPSA
9.23
LogP / Solubility
WLOGP
6.17
MLOGP
5.44
XLogP3
7.6
Consensus LogP
6.4
Log S (ESOL)
-5.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.42
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
No
Log Kp (skin permeation)
-0.37
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
-
-
PRASEODYMIUM(III) ACETATE HYDRATE 99.9%
- CAS RN: 334869-74-8
- Product Code: starshine_CAS334869-74-8
- Purity/Analytical method: >99.0%
-
1-Boc-2-[Methoxy(Methyl)carbaMoyl]pyrrolidine
- CAS RN: 334872-14-9
- Product Code: SSC-139567
-
ALPHA-AMINO-4-HEXYL-2,3-DIHYDRO-3-OXO-5-ISOXAZOLEPROPANOIC ACID
- CAS RN: 334887-43-3
- Product Code: starshine_CAS334887-43-3
- Purity/Analytical method: >99.0%
-
(5-Chloro-1-methyl-1H-imidazol-2-yl)methanol
- CAS RN: 334893-99-1
- Product Code: SSC-139569
-
1,4-Benzenediamine,2-fluoro-N4,N4-dimethyl-(9CI)
- CAS RN: 334905-81-6
- Product Code: SSC-139573
![CAS 334872-14-9 1-Boc-2-[Methoxy(Methyl)carbaMoyl]pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/334872-14-9.gif)
