CAS RN: 1269530-62-2
Isoxazol-3-yl-(4-methoxy-benzyl)-amine
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.20260421 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1269530-62-2
- Purity/Analytical Methods: >99.0%
1269530-62-2 / N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine
Basic Information
CAS
1269530-62-2
Multi CAS
No
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
SMILES
COC1=CC=C(C=C1)CNC2=NOC=C2
InChI
InChI=1S/C11H12N2O2/c1-14-10-4-2-9(3-5-10)8-12-11-6-7-15-13-11/h2-7H,8H2,1H3,(H,12,13)
InChIKey
XNCXJZIYQYJNKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.82
TPSA
47.29
LogP / Solubility
WLOGP
2.3
MLOGP
2.02
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
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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![CAS 1269662-79-4 Phosphonic acid, P-[2-[[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-3-cyano-7-ethoxy-6-quinolinyl]amino]-2-oxoethyl]-, diethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1269662-79-4.gif)
