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CAS 355425-79-5 Ethyl 4-hydrazinyl-3-nitrobenzoate molecular structure lightbox
CAS RN: 355425-79-5

Ethyl 4-hydrazinyl-3-nitrobenzoate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS355425-79-5
  • Purity/Analytical Methods: >99.0%
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355425-79-5 / ethyl 4-hydrazinyl-3-nitrobenzoate

Standard CAS: 355425-79-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
355425-79-5
Multi CAS
No
Molecular Formula
C9H11N3O4
Molecular Weight
225.200000
Exact Mass
225.074956
InChI
InChI=1S/C9H11N3O4/c1-2-16-9(13)6-3-4-7(11-10)8(5-6)12(14)15/h3-5,11H,2,10H2,1H3
InChIKey
MAQFPKZXKHGKQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
56.86
TPSA
107.49

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.9
Consensus LogP
1.3
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-3.34

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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