CAS RN: 75078-91-0
Temarotene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251221 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS75078-91-0
- Purity/Analytical Methods: >99.0%
75078-91-0 / 1,1,4,4-tetramethyl-6-(1-phenylprop-1-en-2-yl)-2,3-dihydronaphthalene
Basic Information
CAS
75078-91-0
Multi CAS
Yes
Molecular Formula
C23H28
Molecular Weight
304.500000
Exact Mass
304.219101
InChI
InChI=1S/C23H28/c1-17(15-18-9-7-6-8-10-18)19-11-12-20-21(16-19)23(4,5)14-13-22(20,2)3/h6-12,15-16H,13-14H2,1-5H3/b17-15+
InChIKey
MUJQTAMVZYFLCR-BMRADRMJSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
2
Molar refractivity
101.72
TPSA
0.0000
LogP / Solubility
WLOGP
6.6
MLOGP
5.82
XLogP3
7.9
Consensus LogP
6.77
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.35
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)
0.11
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
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