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CAS 58586-81-5 4-ETHOXYBENZHYDRAZIDE molecular structure lightbox
CAS RN: 58586-81-5

4-ETHOXYBENZHYDRAZIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250914 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS58586-81-5
  • Purity/Analytical Methods: >99.0%
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58586-81-5 / 4-ethoxybenzohydrazide

Standard CAS: 58586-81-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58586-81-5
Multi CAS
No
Molecular Formula
C9H12N2O2
Molecular Weight
180.200000
Exact Mass
180.089878
InChI
InChI=1S/C9H12N2O2/c1-2-13-8-5-3-7(4-6-8)9(12)11-10/h3-6H,2,10H2,1H3,(H,11,12)
InChIKey
STTILZBQLOSDNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.26
TPSA
64.35

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.6
Consensus LogP
0.63
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-3.33

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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