CAS RN: 1357362-02-7
ORY-2001
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.20251101 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1357362-02-7
- Purity/Analytical Methods: >99.0%
1357362-02-7 / 5-[[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]methyl]-1,3,4-oxadiazol-2-amine
Basic Information
CAS
1357362-02-7
Multi CAS
No
Molecular Formula
C19H20N4O2
Molecular Weight
336.400000
Exact Mass
336.158626
SMILES
C1[C@H]([C@@H]1NCC2=NN=C(O2)N)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C19H20N4O2/c20-19-23-22-18(25-19)11-21-17-10-16(17)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2,(H2,20,23)/t16-,17+/m0/s1
InChIKey
XBBRLCXCBCZIOI-DLBZAZTESA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
93.91
TPSA
86.2
LogP / Solubility
WLOGP
2.88
MLOGP
2.55
XLogP3
2.2
Consensus LogP
2.54
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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
No
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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