![CAS 944901-69-3 [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/944901-69-3.gif)
CAS RN: 944901-69-3
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
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.20260206 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS944901-69-3
- Purity/Analytical Methods: >99.0%
944901-69-3 / [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
Basic Information
CAS
944901-69-3
Multi CAS
No
Molecular Formula
C9H8CLN3O
Molecular Weight
209.630000
Exact Mass
209.035590
InChI
InChI=1S/C9H8ClN3O/c10-7-3-1-2-6(4-7)9-12-8(5-11)14-13-9/h1-4H,5,11H2
InChIKey
RNPITVFPXBNOFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.64
TPSA
64.94
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
1.3
Consensus LogP
1.59
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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