CAS RN: 2498-47-7
cyclohexylguanidine monohydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250912 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2498-47-7
- Purity/Analytical Methods: >99.0%
2498-47-7 / 2-cyclohexylguanidine;hydrochloride
Basic Information
CAS
2498-47-7
Multi CAS
No
Molecular Formula
C7H16ClN3
Molecular Weight
177.670000
Exact Mass
177.103275
SMILES
C1CCC(CC1)N=C(N)N.Cl
InChI
InChI=1S/C7H15N3.ClH/c8-7(9)10-6-4-2-1-3-5-6;/h6H,1-5H2,(H4,8,9,10);1H
InChIKey
RYNCIRCAXCMTCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
49.93
TPSA
64.4
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
1.01
Consensus LogP
0.97
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.08
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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