![CAS 2355377-13-6 Glycine, N-[4-[[2-(1-pyrrolidinyl)-4-pyrimidinyl]amino]phenyl]-N-[(2,4,6-trimethylphenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2355377-13-6.gif)
CAS RN: 2355377-13-6
Glycine, N-[4-[[2-(1-pyrrolidinyl)-4-pyrimidinyl]amino]phenyl]-N-[(2,4,6-trimethylphenyl)sulfonyl]-
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250404 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251126 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250703 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250218 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251123 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250621 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250712 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2355377-13-6
- Purity/Analytical Methods: >99.0%
2355377-13-6 / 2-[4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-N-(2,4,6-trimethylphenyl)sulfonylanilino]acetic acid
Basic Information
CAS
2355377-13-6
Multi CAS
No
Molecular Formula
C25H29N5O4S
Molecular Weight
495.600000
Exact Mass
495.194026
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)NC3=NC(=NC=C3)N4CCCC4)C
InChI
InChI=1S/C25H29N5O4S/c1-17-14-18(2)24(19(3)15-17)35(33,34)30(16-23(31)32)21-8-6-20(7-9-21)27-22-10-11-26-25(28-22)29-12-4-5-13-29/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,31,32)(H,26,27,28)
InChIKey
IIPYRKNROAWEPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
136.02
TPSA
115.73
LogP / Solubility
WLOGP
4.03
MLOGP
3.58
XLogP3
4.4
Consensus LogP
4
Log S (ESOL)
-5.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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