CAS RN: 760-81-6

Ethyl 1-methylhydrazinecarboxylate

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Batchno.20251111 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS760-81-6
  • Purity/Analytical Methods: >99.0%
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760-81-6 / ethyl N-amino-N-methylcarbamate

Standard CAS: 760-81-6 Multi CAS: No

Basic Information

CAS
760-81-6
Multi CAS
No
Molecular Formula
C4H10N2O2
Molecular Weight
118.130000
Exact Mass
118.074228
InChI
InChI=1S/C4H10N2O2/c1-3-8-4(7)6(2)5/h3,5H2,1-2H3
InChIKey
GFIGIXMFDHSXBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.97
TPSA
55.56

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.06
XLogP3
0.1
Consensus LogP
0.0000
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.51
Class (SILICOS-IT)
Very 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)
-3.48

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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