CAS RN: 93565-01-6
MDL 72527
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260108 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS93565-01-6
- Purity/Analytical Methods: >99.0%
93565-01-6 / N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine;dihydrochloride
Basic Information
CAS
93565-01-6
Multi CAS
Yes
Molecular Formula
C12H22CL2N2
Molecular Weight
265.220000
Exact Mass
264.116004
InChI
InChI=1S/C12H20N2.2ClH/c1-3-5-9-13-11-7-8-12-14-10-6-4-2;;/h5-6,13-14H,1-2,7-12H2;2*1H
InChIKey
ITVRWVVFVHINOH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.89
TPSA
24.06
LogP / Solubility
WLOGP
2.47
MLOGP
2.18
XLogP3
2.47
Consensus LogP
2.37
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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