CAS RN: 2131223-64-6
YW1128
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.20260510 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2131223-64-6
- Purity/Analytical Methods: >99.0%
2131223-64-6 / 5-methyl-1-(2-methylphenyl)-N-quinolin-2-yltriazole-4-carboxamide
Basic Information
CAS
2131223-64-6
Multi CAS
No
Molecular Formula
C20H17N5O
Molecular Weight
343.400000
Exact Mass
343.143310
SMILES
CC1=CC=CC=C1N2C(=C(N=N2)C(=O)NC3=NC4=CC=CC=C4C=C3)C
InChI
InChI=1S/C20H17N5O/c1-13-7-3-6-10-17(13)25-14(2)19(23-24-25)20(26)22-18-12-11-15-8-4-5-9-16(15)21-18/h3-12H,1-2H3,(H,21,22,26)
InChIKey
SXZFICNOPPNYJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
21
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
100.53
TPSA
72.7
LogP / Solubility
WLOGP
3.68
MLOGP
3.26
XLogP3
3.9
Consensus LogP
3.61
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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