CAS RN: 2235-97-4
5-(N,N-dimethyl)-Amiloride (hydrochloride)
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.20250902 | 1mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2235-97-4
- Purity/Analytical Methods: >99.0%
2235-97-4 / 3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide;hydrochloride
Basic Information
CAS
2235-97-4
Multi CAS
No
Molecular Formula
C8H13Cl2N7O
Molecular Weight
294.140000
Exact Mass
293.055864
SMILES
CN(C)C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N.Cl
InChI
InChI=1S/C8H12ClN7O.ClH/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12;/h1-2H3,(H2,10,14)(H4,11,12,15,17);1H
InChIKey
IIUPTHVVXMBJMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
73.17
TPSA
136.51
LogP / Solubility
WLOGP
-0.39
MLOGP
-0.33
XLogP3
-0.39
Consensus LogP
-0.37
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-4.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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