[email protected]
CAS 698967-00-9 Phosphonium, (3-aminopropyl)triphenyl- molecular structure lightbox
CAS RN: 698967-00-9

Phosphonium, (3-aminopropyl)triphenyl-

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250421 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260608 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250704 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260603 5g In stock Shanghai Inquiry
  • Product code: LINP914195
GET A QUOTE

698967-00-9 / 3-aminopropyl(triphenyl)phosphanium

Standard CAS: 698967-00-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
698967-00-9
Multi CAS
No
Molecular Formula
C21H23NP
Molecular Weight
320.400000
Exact Mass
320.156812
InChI
InChI=1S/C21H23NP/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,22H2/q+1
InChIKey
RDVYIDYGKLWXFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
103.69
TPSA
26.02

LogP / Solubility

WLOGP
3.33
MLOGP
2.94
XLogP3
4
Consensus LogP
3.42
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us