![CAS 156886-85-0 N,N”-BIS[3-(ETHYLAMINO)PROPYL]PROPANE-1,3-DIAMINE TETRAHYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/156886-85-0.gif)
CAS RN: 156886-85-0
N,N”-BIS[3-(ETHYLAMINO)PROPYL]PROPANE-1,3-DIAMINE TETRAHYDROCHLORIDE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250228 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS156886-85-0
- Purity/Analytical Methods: >99.0%
156886-85-0 / N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]propane-1,3-diamine;tetrahydrochloride
Basic Information
CAS
156886-85-0
Multi CAS
No
Molecular Formula
C13H36Cl4N4
Molecular Weight
390.300000
Exact Mass
390.166458
SMILES
CCNCCCNCCCNCCCNCC.Cl.Cl.Cl.Cl
InChI
InChI=1S/C13H32N4.4ClH/c1-3-14-8-5-10-16-12-7-13-17-11-6-9-15-4-2;;;;/h14-17H,3-13H2,1-2H3;4*1H
InChIKey
LAWBSOKBIROCQP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
4
Molar refractivity
105.67
TPSA
48.12
LogP / Solubility
WLOGP
2.24
MLOGP
2
XLogP3
2.24
Consensus LogP
2.16
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS156910-49-5
- Purity/Analytical method: >99.0%
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