CAS RN: 70592-05-1
1-methoxy-4-(1,2,2-triphenylethenyl)Benzene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250613 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS70592-05-1
- Purity/Analytical Methods: >99.0%
70592-05-1 / 1-methoxy-4-(1,2,2-triphenylethenyl)benzene
Basic Information
CAS
70592-05-1
Multi CAS
No
Molecular Formula
C27H22O
Molecular Weight
362.500000
Exact Mass
362.167065
InChI
InChI=1S/C27H22O/c1-28-25-19-17-24(18-20-25)27(23-15-9-4-10-16-23)26(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-20H,1H3
InChIKey
DNKXVYVXQUNHPL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
117.34
TPSA
9.23
LogP / Solubility
WLOGP
6.7
MLOGP
5.92
XLogP3
7.9
Consensus LogP
6.84
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.18
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)
-0.17
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
3
Customers Also Viewed
-
1-methyl-4-(1,2,2-triphenylethenyl)benzene
- CAS RN: 70592-06-2
- Product Code: starshine_CAS70592-06-2
- Purity/Analytical method: >99.0%
-
-
-
ethyl 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetate
- CAS RN: 70598-01-5
- Product Code: starshine_CAS70598-01-5
- Purity/Analytical method: >99.0%
-
-
