CAS RN: 947601-82-3
BIS-(4-DIMETHYLAMINOPHENYL)PHENYL-D5-METHANE
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.20250210 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS947601-82-3
- Purity/Analytical Methods: >99.0%
947601-82-3 / 4-[[4-(dimethylamino)phenyl]-(2,3,4,5,6-pentadeuteriophenyl)methyl]-N,N-dimethylaniline
Basic Information
CAS
947601-82-3
Multi CAS
Yes
Molecular Formula
C23H26N2
Molecular Weight
335.500000
Exact Mass
335.240983
InChI
InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3/i5D,6D,7D,8D,9D
InChIKey
WZKXBGJNNCGHIC-CFEWMVNUSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
108.93
TPSA
6.48
LogP / Solubility
WLOGP
5
MLOGP
4.41
XLogP3
5.3
Consensus LogP
4.9
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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