CAS RN: 27238-40-0
1,2,4-BENZOTRIAZIN-3-AMINE, 7-METHOXY-
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.20260405 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS27238-40-0
- Purity/Analytical Methods: >99.0%
27238-40-0 / 7-methoxy-1,2,4-benzotriazin-3-amine
Basic Information
CAS
27238-40-0
Multi CAS
No
Molecular Formula
C8H8N4O
Molecular Weight
176.180000
Exact Mass
176.069811
SMILES
COC1=CC2=C(C=C1)N=C(N=N2)N
InChI
InChI=1S/C8H8N4O/c1-13-5-2-3-6-7(4-5)11-12-8(9)10-6/h2-4H,1H3,(H2,9,10,12)
InChIKey
YAKVLBOGYKAJEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.3
TPSA
73.92
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
0.2
Consensus LogP
0.45
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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