![CAS 216067-66-2 O-[(2,4-diMethoxyphenyl)Methyl]hydroxylaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/216067-66-2.gif)
CAS RN: 216067-66-2
O-[(2,4-diMethoxyphenyl)Methyl]hydroxylaMine
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.20250314 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS216067-66-2
- Purity/Analytical Methods: >99.0%
216067-66-2 / O-[(2,4-dimethoxyphenyl)methyl]hydroxylamine
Basic Information
CAS
216067-66-2
Multi CAS
No
Molecular Formula
C9H13NO3
Molecular Weight
183.200000
Exact Mass
183.089543
SMILES
COC1=CC(=C(C=C1)CON)OC
InChI
InChI=1S/C9H13NO3/c1-11-8-4-3-7(6-13-10)9(5-8)12-2/h3-5H,6,10H2,1-2H3
InChIKey
HNACNYOQQGUSRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.52
TPSA
53.71
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
1.3
Consensus LogP
1.12
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately 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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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