CAS RN: 60-02-6
GUANETHIDINE HEMISULFATE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS60-02-6
- Purity/Analytical Methods: >99.0%
60-02-6 / bis(2-[2-(azocan-1-yl)ethyl]guanidine);sulfuric acid
Basic Information
CAS
60-02-6
Multi CAS
Yes
Molecular Formula
C20H46N8O4S
Molecular Weight
494.700000
Exact Mass
494.336273
InChI
InChI=1S/2C10H22N4.H2O4S/c2*11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;1-5(2,3)4/h2*1-9H2,(H4,11,12,13);(H2,1,2,3,4)
InChIKey
NBJGGHFXCGHTNJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.9
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
6
Molar refractivity
134.58
TPSA
209.88
LogP / Solubility
WLOGP
0.4
MLOGP
0.39
XLogP3
0.4
Consensus LogP
0.4
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 60-99-1 (-)-10-(3-[DIMETHYLAMINO]-2-METHYLPROPYL)-2-METHOXY-PHENOTHIAZINE MALEATE SALT molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60-99-1.gif)
