CAS RN: 7586-43-8
Benzy (methyl) guanidine hemisulfate salt
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS7586-43-8
- Purity/Analytical Methods: >99.0%
7586-43-8 / 2-(1-phenylethyl)guanidine
Basic Information
CAS
7586-43-8
Multi CAS
Yes
Molecular Formula
C9H13N3
Molecular Weight
163.220000
Exact Mass
163.110947
InChI
InChI=1S/C9H13N3/c1-7(12-9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H4,10,11,12)
InChIKey
KDEAYTOFKXHILE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
50.67
TPSA
64.4
LogP / Solubility
WLOGP
1.02
MLOGP
0.89
XLogP3
0.7
Consensus LogP
0.87
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.99
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
2
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