CAS RN: 1351926-90-3
T338C Src-IN-1
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.20260312 | 2mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1351926-90-3
- Purity/Analytical Methods: >99.0%
1351926-90-3 / N-[3-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]ethenesulfonamide
Basic Information
CAS
1351926-90-3
Multi CAS
No
Molecular Formula
C17H20N6O2S
Molecular Weight
372.400000
Exact Mass
372.136845
SMILES
CC(C)N1C2=NC=NC(=C2C(=N1)CC3=CC(=CC=C3)NS(=O)(=O)C=C)N
InChI
InChI=1S/C17H20N6O2S/c1-4-26(24,25)22-13-7-5-6-12(8-13)9-14-15-16(18)19-10-20-17(15)23(21-14)11(2)3/h4-8,10-11,22H,1,9H2,2-3H3,(H2,18,19,20)
InChIKey
AAFALAKLPXVLIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
102.11
TPSA
115.79
LogP / Solubility
WLOGP
2.47
MLOGP
2.19
XLogP3
2
Consensus LogP
2.22
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1351961-59-5 7-[(4-Methoxyphenyl)Methyl]-5-Methyl-2H-pyrazolo[3,4-d]pyriMidine-4,6(5H,7H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1351961-59-5.gif)
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