CAS RN: 851107-28-3
9a-(4-chlorobenzyl)-7-hydroxy-4-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-1,2,9,9a-tetrahydro-3H-fluoren-3-one
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251206 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS851107-28-3
- Purity/Analytical Methods: >99.0%
851107-28-3 / 9a-[(4-chlorophenyl)methyl]-7-hydroxy-4-[4-(2-piperidin-1-ylethoxy)phenyl]-2,9-dihydro-1H-fluoren-3-one
Basic Information
CAS
851107-28-3
Multi CAS
No
Molecular Formula
C33H34CLNO3
Molecular Weight
528.100000
Exact Mass
527.222722
InChI
InChI=1S/C33H34ClNO3/c34-26-8-4-23(5-9-26)21-33-15-14-30(37)31(32(33)29-13-10-27(36)20-25(29)22-33)24-6-11-28(12-7-24)38-19-18-35-16-2-1-3-17-35/h4-13,20,36H,1-3,14-19,21-22H2
InChIKey
YHOXIEXEPIIKMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
152.68
TPSA
49.77
LogP / Solubility
WLOGP
6.97
MLOGP
6.17
XLogP3
6.6
Consensus LogP
6.58
Log S (ESOL)
-7.39
Class (ESOL)
Insoluble
Log S (Ali)
-8.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.99
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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