![CAS 1402452-15-6 2-Chloro-N,N-diethyl-5-[[4-[2-[4-[[(MethylaMino)carbonyl]aMino]phenyl]-4-pyridinyl]-2-pyriMidinyl]aMino]benzenesulfonaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402452-15-6(2).gif)
CAS RN: 1402452-15-6
2-Chloro-N,N-diethyl-5-[[4-[2-[4-[[(MethylaMino)carbonyl]aMino]phenyl]-4-pyridinyl]-2-pyriMidinyl]aMino]benzenesulfonaMide
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251015 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260407 | 10mg / 25mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260413 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260503 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250920 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1402452-15-6
- Purity/Analytical Methods: >99.0%
1402452-15-6 / 1-[4-[4-[2-[4-chloro-3-(diethylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea
Basic Information
CAS
1402452-15-6
Multi CAS
No
Molecular Formula
C27H28ClN7O3S
Molecular Weight
566.100000
Exact Mass
565.166287
SMILES
CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)C4=CC=C(C=C4)NC(=O)NC)Cl
InChI
InChI=1S/C27H28ClN7O3S/c1-4-35(5-2)39(37,38)25-17-21(10-11-22(25)28)32-26-31-15-13-23(34-26)19-12-14-30-24(16-19)18-6-8-20(9-7-18)33-27(36)29-3/h6-17H,4-5H2,1-3H3,(H2,29,33,36)(H,31,32,34)
InChIKey
RZFJBSIAXYEPBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.19
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
3
Molar refractivity
153.62
TPSA
129.21
LogP / Solubility
WLOGP
5.38
MLOGP
4.78
XLogP3
3.8
Consensus LogP
4.65
Log S (ESOL)
-6.6
Class (ESOL)
Insoluble
Log S (Ali)
-8.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.89
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
4.5
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