CAS RN: 1223593-77-8
(E)-ethyl 3-(3-(hydrazinecarbonyl)phenyl)acrylate
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE926889
1223593-77-8 / ethyl (E)-3-[3-(hydrazinecarbonyl)phenyl]prop-2-enoate
Basic Information
CAS
1223593-77-8
Multi CAS
No
Molecular Formula
C12H14N2O3
Molecular Weight
234.250000
Exact Mass
234.100442
SMILES
CCOC(=O)/C=C/C1=CC(=CC=C1)C(=O)NN
InChI
InChI=1S/C12H14N2O3/c1-2-17-11(15)7-6-9-4-3-5-10(8-9)12(16)14-13/h3-8H,2,13H2,1H3,(H,14,16)/b7-6+
InChIKey
YLOFVTUDZZAYNG-VOTSOKGWSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.76
TPSA
81.42
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
1
Consensus LogP
0.88
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-3.53
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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