CAS RN: 61926-22-5
ETHIDIUM HOMODIMER
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250420 | 1mg | In stock | Inquiry |
- Product code: starshine_CAS61926-22-5
- Purity/Analytical Methods: >99.0%
61926-22-5 / 5-[3-[2-[3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propylamino]ethylamino]propyl]-6-methylphenanthridin-5-ium-3,8-diamine;hydron;tetrachloride
Basic Information
CAS
61926-22-5
Multi CAS
Yes
Molecular Formula
C41H48CL4N8
Molecular Weight
794.700000
Exact Mass
794.272654
InChI
InChI=1S/C41H44N8.4ClH/c1-27-37-23-29(42)9-13-33(37)35-15-11-31(44)25-39(35)48(27)21-5-17-46-19-20-47-18-6-22-49-40-26-32(45)12-16-36(40)34-14-10-30(43)24-38(34)41(49)28-7-3-2-4-8-28;;;;/h2-4,7-16,23-26,44-47H,5-6,17-22,42-43H2,1H3;4*1H
InChIKey
GTSMOYLSFUBTMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
34
Fraction Csp3
0.22
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
6
Molar refractivity
208.32
TPSA
135.9
LogP / Solubility
WLOGP
-5.92
MLOGP
-5.14
XLogP3
-5.92
Consensus LogP
-5.66
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-11.77
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
