CAS RN: 885966-33-6
N-HYDROXY-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETAMIDINE
- Product code: SSC-199756
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 | Shanghai | Inquiry |
885966-33-6 / N'-hydroxy-2-(3,4,5-trimethoxyphenyl)ethanimidamide
Basic Information
CAS
885966-33-6
Multi CAS
Yes
Molecular Formula
C11H16N2O4
Molecular Weight
240.260000
Exact Mass
240.111007
InChI
InChI=1S/C11H16N2O4/c1-15-8-4-7(6-10(12)13-14)5-9(16-2)11(8)17-3/h4-5,14H,6H2,1-3H3,(H2,12,13)
InChIKey
JFNDPKDCLLMJON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
63.21
TPSA
86.3
LogP / Solubility
WLOGP
1
MLOGP
0.89
XLogP3
0.9
Consensus LogP
0.93
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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