[email protected]
CAS 1357398-59-4 1-Methyl-2-(2-diphenylphosphinophenyl)-1H-benzoimidazole molecular structure lightbox
CAS RN: 1357398-59-4

1-Methyl-2-(2-diphenylphosphinophenyl)-1H-benzoimidazole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1357398-59-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1357398-59-4 / [2-(1-methylbenzimidazol-2-yl)phenyl]-diphenylphosphane

Standard CAS: 1357398-59-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1357398-59-4
Multi CAS
No
Molecular Formula
C26H21N2P
Molecular Weight
392.400000
Exact Mass
392.144236
SMILES
CN1C2=CC=CC=C2N=C1C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H21N2P/c1-28-24-18-10-9-17-23(24)27-26(28)22-16-8-11-19-25(22)29(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-19H,1H3
InChIKey
BVVIYNVQLLTULW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
27
Fraction Csp3
0.04
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
124.86
TPSA
17.82

LogP / Solubility

WLOGP
5
MLOGP
4.42
XLogP3
5.8
Consensus LogP
5.07
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.84
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us