CAS RN: 895542-09-3
Trifarotene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250313 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | 15 business days | Inquiry |
- Product code: starshine_CAS895542-09-3
- Purity/Analytical Methods: >99.0%
895542-09-3 / 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid
Basic Information
CAS
895542-09-3
Multi CAS
No
Molecular Formula
C29H33NO4
Molecular Weight
459.600000
Exact Mass
459.240959
InChI
InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)
InChIKey
MFBCDACCJCDGBA-UHFFFAOYSA-N
Physical Properties
Melting Point
245C
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.34
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
137
TPSA
70
LogP / Solubility
WLOGP
5.99
MLOGP
5.3
XLogP3
6.3
Consensus LogP
5.86
Log S (ESOL)
-6.39
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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