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CAS 40685-92-5 hydrazinecarboxamide, N,N-dimethyl- molecular structure lightbox
CAS RN: 40685-92-5

hydrazinecarboxamide, N,N-dimethyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS40685-92-5
  • Purity/Analytical Methods: >99.0%
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40685-92-5 / 3-amino-1,1-dimethylurea

Standard CAS: 40685-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
40685-92-5
Multi CAS
No
Molecular Formula
C3H9N3O
Molecular Weight
103.120000
Exact Mass
103.074562
InChI
InChI=1S/C3H9N3O/c1-6(2)3(7)5-4/h4H2,1-2H3,(H,5,7)
InChIKey
PGLFGNJUOPLFLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.41
TPSA
58.36

LogP / Solubility

WLOGP
-0.87
MLOGP
-0.78
XLogP3
-1.6
Consensus LogP
-1.08
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
0.22
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.39
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.97

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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