CAS RN: 107967-88-4

(2-METHOXY-PHENOXY)-ACETIC ACID HYDRAZIDE

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  • Product code: starshine_CAS107967-88-4
  • Purity/Analytical Methods: >99.0%
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107967-88-4 / 2-(2-methoxyphenoxy)acetohydrazide

2-(2-Methoxyphenoxy)acetohydrazide | RefChem:454096 | 107-457-6

Standard CAS: 107967-88-4 Multi CAS: Yes

Basic Information

CAS
107967-88-4
Multi CAS
Yes
Molecular Formula
C9H12N2O3
Molecular Weight
196.200000
Exact Mass
196.084792
SMILES
COC1=CC=CC=C1OCC(=O)NN
InChI
InChI=1S/C9H12N2O3/c1-13-7-4-2-3-5-8(7)14-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey
WGQDMRNLIVOSOW-UHFFFAOYSA-N
Synonyms
2-(2-Methoxyphenoxy)acetohydrazide RefChem:454096 107-457-6 (2-methoxy-phenoxy)-acetic acid hydrazide MFCD00553729

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.82
TPSA
73.58

LogP / Solubility

WLOGP
0.06
MLOGP
0.06
Consensus LogP
0.04
Log S (ESOL)
-1.15
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-3.87

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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