CAS RN: 693790-05-5
4-AMIDINOPIPERAZINE-1-CARBOXAMIDE
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS693790-05-5
- Purity/Analytical Methods: >99.0%
693790-05-5 / 4-carbamimidoylpiperazine-1-carboxamide
Basic Information
CAS
693790-05-5
Multi CAS
No
Molecular Formula
C6H13N5O
Molecular Weight
171.200000
Exact Mass
171.112010
InChI
InChI=1S/C6H13N5O/c7-5(8)10-1-3-11(4-2-10)6(9)12/h1-4H2,(H3,7,8)(H2,9,12)
InChIKey
UWYYNZUPQCHBJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
3
Molar refractivity
44.64
TPSA
99.44
LogP / Solubility
WLOGP
-1.42
MLOGP
-1.26
XLogP3
-2.1
Consensus LogP
-1.59
Class (ESOL)
Very soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.41
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.78
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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