CAS RN: 645-43-2
GUANETHIDINE SULFATE
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS645-43-2
- Purity/Analytical Methods: >99.0%
645-43-2 / 2-[2-(azocan-1-yl)ethyl]guanidine;sulfuric acid
Basic Information
CAS
645-43-2
Multi CAS
Yes
Molecular Formula
C10H24N4O4S
Molecular Weight
296.390000
Exact Mass
296.151826
InChI
InChI=1S/C10H22N4.H2O4S/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h1-9H2,(H4,11,12,13);(H2,1,2,3,4)
InChIKey
YUFWAVFNITUSHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
74.38
TPSA
142.24
LogP / Solubility
WLOGP
-0.13
MLOGP
-0.1
XLogP3
-0.13
Consensus LogP
-0.12
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-4.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS645-88-5
- Purity/Analytical method: >99.0%
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