![CAS 21038-22-2 O-[(4-methoxyphenyl)methyl]Hydroxylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72623116.gif)
CAS RN: 21038-22-2
O-[(4-methoxyphenyl)methyl]Hydroxylamine
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock2 grade groups
- Product code: SSC-100128
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
21038-22-2 / O-[(4-methoxyphenyl)methyl]hydroxylamine
Basic Information
CAS
21038-22-2
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
COC1=CC=C(C=C1)CON
InChI
InChI=1S/C8H11NO2/c1-10-8-4-2-7(3-5-8)6-11-9/h2-5H,6,9H2,1H3
InChIKey
MVSMBIBGGPSEHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.97
TPSA
44.48
LogP / Solubility
WLOGP
1.09
MLOGP
0.95
XLogP3
0.9
Consensus LogP
0.98
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-2.88
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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