CAS RN: 50357-45-4
PentaMidine-d4 2HCl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250817 | 10mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS50357-45-4
- Purity/Analytical Methods: >99.0%
50357-45-4 / [amino-[4-[5-[4-[amino(azaniumylidene)methyl]phenoxy]pentoxy]phenyl]methylidene]azanium dichloride
Basic Information
CAS
50357-45-4
Multi CAS
Yes
Molecular Formula
C19H26CL2N4O2
Molecular Weight
413.300000
Exact Mass
412.143282
InChI
InChI=1S/C19H24N4O2.2ClH/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;;/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*1H
InChIKey
HWURPQUPKQFGJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
4
Molar refractivity
98.17
TPSA
121.68
LogP / Solubility
WLOGP
-6.75
MLOGP
-5.91
XLogP3
-6.75
Consensus LogP
-6.47
Log S (ESOL)
2.18
Class (ESOL)
Highly soluble
Log S (Ali)
1.92
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.05
Class (SILICOS-IT)
Highly 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)
-10.03
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
2.5
