[email protected]
CAS 229002-10-2 Urea, N-[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]-N’-[4-(4-pyridinyloxy)phenyl]- molecular structure lightbox
CAS RN: 229002-10-2

Urea, N-[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]-N’-[4-(4-pyridinyloxy)phenyl]-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260214 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS229002-10-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

229002-10-2 / 1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-pyridin-4-yloxyphenyl)urea

Standard CAS: 229002-10-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
229002-10-2
Multi CAS
No
Molecular Formula
C20H23N5O2
Molecular Weight
365.400000
Exact Mass
365.185175
SMILES
CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=NC=C3)C
InChI
InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(25(4)24-17)23-19(26)22-14-5-7-15(8-6-14)27-16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,26)
InChIKey
MHSLDASSAFCCDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
17
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
105.3
TPSA
81.07

LogP / Solubility

WLOGP
4.55
MLOGP
4.02
XLogP3
3.3
Consensus LogP
3.96
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us