CAS RN: 1223593-76-7
(E)-3-(4-(hydrazinecarbonyl)phenyl)-N-hydroxyacrylaMide
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.20251119 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE926557
1223593-76-7 / (E)-3-[4-(hydrazinecarbonyl)phenyl]-N-hydroxyprop-2-enamide
Basic Information
CAS
1223593-76-7
Multi CAS
No
Molecular Formula
C10H11N3O3
Molecular Weight
221.210000
Exact Mass
221.080041
SMILES
C1=CC(=CC=C1/C=C/C(=O)NO)C(=O)NN
InChI
InChI=1S/C10H11N3O3/c11-12-10(15)8-4-1-7(2-5-8)3-6-9(14)13-16/h1-6,16H,11H2,(H,12,15)(H,13,14)/b6-3+
InChIKey
JDCGMEUTAWDVDU-ZZXKWVIFSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
57.06
TPSA
104.45
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.17
XLogP3
-0.3
Consensus LogP
-0.22
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
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)
-4.21
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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