![CAS 1402452-10-1 Benzenesulfonamide, N,N,2-trimethyl-5-[[4-[2-[4-[[(methylamino)carbonyl]amino]phenyl]-4-pyridinyl]-2-pyrimidinyl]amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402452-10-1(2).gif)
CAS RN: 1402452-10-1
Benzenesulfonamide, N,N,2-trimethyl-5-[[4-[2-[4-[[(methylamino)carbonyl]amino]phenyl]-4-pyridinyl]-2-pyrimidinyl]amino]-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250823 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1402452-10-1
- Purity/Analytical Methods: >99.0%
1402452-10-1 / 1-[4-[4-[2-[3-(dimethylsulfamoyl)-4-methylanilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea
Basic Information
CAS
1402452-10-1
Multi CAS
No
Molecular Formula
C26H27N7O3S
Molecular Weight
517.600000
Exact Mass
517.189609
SMILES
CC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)C4=CC=C(C=C4)NC(=O)NC)S(=O)(=O)N(C)C
InChI
InChI=1S/C26H27N7O3S/c1-17-5-8-21(16-24(17)37(35,36)33(3)4)30-25-29-14-12-22(32-25)19-11-13-28-23(15-19)18-6-9-20(10-7-18)31-26(34)27-2/h5-16H,1-4H3,(H2,27,31,34)(H,29,30,32)
InChIKey
FOFHDVOENOAIGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.15
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
3
Molar refractivity
144.11
TPSA
129.21
LogP / Solubility
WLOGP
4.26
MLOGP
3.79
XLogP3
2.9
Consensus LogP
3.65
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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