[email protected]
CAS 1163719-56-9 CCT196969 molecular structure lightbox
CAS RN: 1163719-56-9

CCT196969

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 5mg / 25mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 100mg Out of stock Inquiry
Batchno.20250626 10mg In stock Inquiry
Batchno.20251015 25mg In stock Inquiry
Batchno.20260502 50mg In stock Inquiry
Batchno.20260121 5mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260329 1ml In stock Inquiry
  • Product code: starshine_CAS1163719-56-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1163719-56-9 / 1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea

CCT196969 | 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea | 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-(2-fluoro-4-((3-oxo-4H-pyrido(2,3-b)pyrazin-8-yl)oxy)phenyl)urea

Standard CAS: 1163719-56-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1163719-56-9
Multi CAS
Yes
Molecular Formula
C27H24FN7O3
Molecular Weight
513.500000
Exact Mass
513.192466
SMILES
CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)F)C5=CC=CC=C5
InChI
InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)
InChIKey
KYYKGSDLXXKQCR-UHFFFAOYSA-N
Synonyms
CCT196969 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-(2-fluoro-4-((3-oxo-4H-pyrido(2,3-b)pyrazin-8-yl)oxy)phenyl)urea RefChem:124099 1-(3-(tert-butyl)-1-phenyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-((3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yl)oxy)phenyl)urea

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
27
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
141.54
TPSA
126.82

LogP / Solubility

WLOGP
5.38
MLOGP
4.77
XLogP3
4.2
Consensus LogP
4.78
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us