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CAS 36668-76-5 TERT-BUTYL CYANAMIDE molecular structure lightbox
CAS RN: 36668-76-5

TERT-BUTYL CYANAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250129 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS36668-76-5
  • Purity/Analytical Methods: >99.0%
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36668-76-5 / tert-butylcyanamide

Standard CAS: 36668-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36668-76-5
Multi CAS
No
Molecular Formula
C5H10N2
Molecular Weight
98.150000
Exact Mass
98.084398
InChI
InChI=1S/C5H10N2/c1-5(2,3)7-4-6/h7H,1-3H3
InChIKey
IBQCYUBVFOFMRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.5
TPSA
35.82

LogP / Solubility

WLOGP
0.86
MLOGP
0.74
XLogP3
1.4
Consensus LogP
1
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.01
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)
-2.71

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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