CAS RN: 6001-93-0
1-(3,4-dichlorophenyl)-5-isopropylbiguanide monohydrochloride
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.20250614 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6001-93-0
- Purity/Analytical Methods: >99.0%
6001-93-0 / (1E)-1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride
Basic Information
CAS
6001-93-0
Multi CAS
Yes
Molecular Formula
C11H16CL3N5
Molecular Weight
324.600000
Exact Mass
323.047129
InChI
InChI=1S/C11H15Cl2N5.ClH/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7;/h3-6H,1-2H3,(H5,14,15,16,17,18);1H
InChIKey
SVJMILFDDBKCGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
3
Molar refractivity
85.71
TPSA
88.79
LogP / Solubility
WLOGP
2.86
MLOGP
2.54
XLogP3
2.86
Consensus LogP
2.75
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
