CAS RN: 2376577-06-7
M2N12
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.20260210 | 1mg / 5mg | Out of stock | 360 business days | Inquiry |
- Product code: starshine_CAS2376577-06-7
- Purity/Analytical Methods: >99.0%
2376577-06-7 / 6-chloro-7-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methylamino]quinoline-5,8-dione
Basic Information
CAS
2376577-06-7
Multi CAS
No
Molecular Formula
C20H16ClN5O2
Molecular Weight
393.800000
Exact Mass
393.099253
SMILES
CC1=CC=C(C=C1)CN2C=C(N=N2)CNC3=C(C(=O)C4=C(C3=O)N=CC=C4)Cl
InChI
InChI=1S/C20H16ClN5O2/c1-12-4-6-13(7-5-12)10-26-11-14(24-25-26)9-23-18-16(21)19(27)15-3-2-8-22-17(15)20(18)28/h2-8,11,23H,9-10H2,1H3
InChIKey
BDBIMDYALUJAPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
102.92
TPSA
89.77
LogP / Solubility
WLOGP
2.65
MLOGP
2.35
XLogP3
3
Consensus LogP
2.67
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
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
Yes
Log Kp (skin permeation)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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