[email protected]
CAS 192767-01-4 L791943 molecular structure lightbox
CAS RN: 192767-01-4

L791943

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250508 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS192767-01-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

192767-01-4 / 2-[4-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

Standard CAS: 192767-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
192767-01-4
Multi CAS
No
Molecular Formula
C24H17F10NO4
Molecular Weight
573.400000
Exact Mass
573.099790
SMILES
C1=CC(=CC=C1C(CC2=CC=[N+](C=C2)[O-])C3=CC(=C(C=C3)OC(F)F)OC(F)F)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C24H17F10NO4/c25-20(26)38-18-6-3-15(12-19(18)39-21(27)28)17(11-13-7-9-35(37)10-8-13)14-1-4-16(5-2-14)22(36,23(29,30)31)24(32,33)34/h1-10,12,17,20-21,36H,11H2
InChIKey
VIOWRSXFEPSZFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
113.1
TPSA
65.63

LogP / Solubility

WLOGP
6.21
MLOGP
5.51
XLogP3
6.6
Consensus LogP
6.11
Log S (ESOL)
-7.05
Class (ESOL)
Insoluble
Log S (Ali)
-8.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us