CAS RN: 926-72-7
amidinouronium chloride
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS926-72-7
- Purity/Analytical Methods: >99.0%
926-72-7 / carbamoyl(diaminomethylidene)azanium chloride
Basic Information
CAS
926-72-7
Multi CAS
Yes
Molecular Formula
C2H7CLN4O
Molecular Weight
138.560000
Exact Mass
138.030839
InChI
InChI=1S/C2H6N4O.ClH/c3-1(4)6-2(5)7;/h(H6,3,4,5,6,7);1H
InChIKey
IFVXVYPDZQJILI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
H-bond acceptors
1
H-bond donors
4
Molar refractivity
23.93
TPSA
109.1
LogP / Solubility
WLOGP
-6.58
MLOGP
-5.8
XLogP3
-6.58
Consensus LogP
-6.32
Log S (ESOL)
3.44
Class (ESOL)
Highly soluble
Log S (Ali)
4.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.9
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)
-8.23
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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