[email protected]
CAS 960614-09-9 5-Chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine molecular structure lightbox
CAS RN: 960614-09-9

5-Chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260216 250mg Out of stock 15 business days Inquiry
  • Product code: LINC929988
GET A QUOTE

960614-09-9 / 5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

Standard CAS: 960614-09-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
960614-09-9
Multi CAS
No
Molecular Formula
C13H7CLF3N3
Molecular Weight
297.660000
Exact Mass
297.028059
InChI
InChI=1S/C13H7ClF3N3/c14-11-4-5-20-12(19-11)10(7-18-20)8-2-1-3-9(6-8)13(15,16)17/h1-7H
InChIKey
PXJQMMYOHLSPON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
68.44
TPSA
30.19

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
3.8
Consensus LogP
3.82
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us