CAS RN: 1310544-60-5
N,N’-Bis(2-pyridylmethyl)-1,2-ethylenediamine Tetrahydrochloride Dihydrate
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.20250618 | 200mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-037717
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: 0
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | 0 | 0 Out of Stock | Shanghai | Inquiry |
1310544-60-5 / N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;tetrahydrochloride
Basic Information
CAS
1310544-60-5
Multi CAS
No
Molecular Formula
C14H22Cl4N4
Molecular Weight
388.200000
Exact Mass
388.056907
SMILES
C1=CC=NC(=C1)CNCCNCC2=CC=CC=N2.Cl.Cl.Cl.Cl
InChI
InChI=1S/C14H18N4.4ClH/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18-14;;;;/h1-8,15-16H,9-12H2;4*1H
InChIKey
MRMZERIJJUIDSY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
100.88
TPSA
49.84
LogP / Solubility
WLOGP
3.04
MLOGP
2.7
XLogP3
3.04
Consensus LogP
2.93
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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