CAS RN: 799262-39-8
Benzenamine, 3-methoxy-5-(5-methyl-1H-tetrazol-1-yl)- (9CI)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260209 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS799262-39-8
- Purity/Analytical Methods: >99.0%
799262-39-8 / 3-methoxy-5-(5-methyltetrazol-1-yl)aniline
Basic Information
CAS
799262-39-8
Multi CAS
No
Molecular Formula
C9H11N5O
Molecular Weight
205.220000
Exact Mass
205.096360
InChI
InChI=1S/C9H11N5O/c1-6-11-12-13-14(6)8-3-7(10)4-9(5-8)15-2/h3-5H,10H2,1-2H3
InChIKey
SMCRWVBLNZVWDF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
54.86
TPSA
78.85
LogP / Solubility
WLOGP
0.56
MLOGP
0.49
XLogP3
0.9
Consensus LogP
0.65
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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