CAS RN: 918311-87-2
(3-Triphenylmethylaminomethyl)pyridine
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.20250215 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS918311-87-2
- Purity/Analytical Methods: >99.0%
918311-87-2 / 1,1,1-triphenyl-N-(pyridin-3-ylmethyl)methanamine
Basic Information
CAS
918311-87-2
Multi CAS
No
Molecular Formula
C25H22N2
Molecular Weight
350.500000
Exact Mass
350.178299
InChI
InChI=1S/C25H22N2/c1-4-12-22(13-5-1)25(23-14-6-2-7-15-23,24-16-8-3-9-17-24)27-20-21-11-10-18-26-19-21/h1-19,27H,20H2
InChIKey
PQFNWDHABGBCHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.08
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
110.28
TPSA
24.92
LogP / Solubility
WLOGP
5.16
MLOGP
4.56
XLogP3
5.1
Consensus LogP
4.94
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
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
Yes
Log Kp (skin permeation)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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