[email protected]
CAS 950738-61-1 N-(3-(3-broMopyrazolo[1,5-a]pyriMidin-7-yl)phenyl)-3-(trifluoroMethyl)benzaMide molecular structure lightbox
CAS RN: 950738-61-1

N-(3-(3-broMopyrazolo[1,5-a]pyriMidin-7-yl)phenyl)-3-(trifluoroMethyl)benzaMide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS950738-61-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

950738-61-1 / N-[3-(3-bromopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide

Standard CAS: 950738-61-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
950738-61-1
Multi CAS
No
Molecular Formula
BC20H12N4ORf3
Molecular Weight
461.200000
Exact Mass
460.014660
InChI
InChI=1S/C20H12BrF3N4O/c21-16-11-26-28-17(7-8-25-18(16)28)12-3-2-6-15(10-12)27-19(29)13-4-1-5-14(9-13)20(22,23)24/h1-11H,(H,27,29)
InChIKey
PZFBDVNBUUKRQE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
105.52
TPSA
59.29

LogP / Solubility

WLOGP
5.43
MLOGP
4.81
XLogP3
4.4
Consensus LogP
4.88
Log S (ESOL)
-6.46
Class (ESOL)
Insoluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.52
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)
-1.68

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us