[email protected]
CAS 34257-63-1 (N-Methyl-N-phenylamino)triphenylphosphonium Iodide molecular structure lightbox
CAS RN: 34257-63-1

(N-Methyl-N-phenylamino)triphenylphosphonium Iodide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250522 50mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: ICTM1151
GET A QUOTE

34257-63-1 / (N-methylanilino)-triphenylphosphanium iodide

Standard CAS: 34257-63-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34257-63-1
Multi CAS
Yes
Molecular Formula
C25H23InP
Molecular Weight
495.300000
Exact Mass
495.061280
InChI
InChI=1S/C25H23NP.HI/c1-26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2-21H,1H3;1H/q+1;/p-1
InChIKey
SAYKZWPCENNSDR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
119.99
TPSA
3.24

LogP / Solubility

WLOGP
2.04
MLOGP
1.83
XLogP3
2.04
Consensus LogP
1.97
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
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)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us