CAS RN: 1349796-36-6
XL765
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260614 | 100mg | Out of stock | Inquiry | |
| Batchno.20251221 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251112 | 1g | Out of stock | Inquiry | |
| Batchno.20260329 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260215 | 250mg | Out of stock | Inquiry | |
| Batchno.20250916 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20260302 | 50mg | In stock | Tianjin | Inquiry |
| Batchno.20250406 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1349796-36-6
- Purity/Analytical Methods: >99.0%
1349796-36-6 / N-[4-[[3-(3,5-dimethoxyanilino)quinoxalin-2-yl]sulfamoyl]phenyl]-3-methoxy-4-methylbenzamide
Basic Information
CAS
1349796-36-6
Multi CAS
No
Molecular Formula
C31H29N5O6S
Molecular Weight
599.700000
Exact Mass
599.183855
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N=C3NC5=CC(=CC(=C5)OC)OC)OC
InChI
InChI=1S/C31H29N5O6S/c1-19-9-10-20(15-28(19)42-4)31(37)33-21-11-13-25(14-12-21)43(38,39)36-30-29(34-26-7-5-6-8-27(26)35-30)32-22-16-23(40-2)18-24(17-22)41-3/h5-18H,1-4H3,(H,32,34)(H,33,37)(H,35,36)
InChIKey
HJSSPYJVWLTYHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
28
Fraction Csp3
0.13
Rotatable bonds
10
H-bond acceptors
9
H-bond donors
3
Molar refractivity
165.3
TPSA
140.77
LogP / Solubility
WLOGP
5.76
MLOGP
5.12
XLogP3
5.1
Consensus LogP
5.33
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-8.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
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