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CAS 1394382-56-9 PYRIDINE-2,6-BIS(CARBOXIMIDAMIDE) DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 1394382-56-9

PYRIDINE-2,6-BIS(CARBOXIMIDAMIDE) DIHYDROCHLORIDE

  • Product code: SSC-050089
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 0.25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1394382-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Beijing Inquiry
25g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 4 In Stock Shanghai Inquiry
100g >95% 1 In Stock Shanghai Inquiry

1394382-56-9 / pyridine-2,6-dicarboximidamide;dihydrochloride

Standard CAS: 1394382-56-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1394382-56-9
Multi CAS
No
Molecular Formula
C7H11Cl2N5
Molecular Weight
236.100000
Exact Mass
235.039151
SMILES
C1=CC(=NC(=C1)C(=N)N)C(=N)N.Cl.Cl
InChI
InChI=1S/C7H9N5.2ClH/c8-6(9)4-2-1-3-5(12-4)7(10)11;;/h1-3H,(H3,8,9)(H3,10,11);2*1H
InChIKey
YLMVDWSPWFNTRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
4
Molar refractivity
60.77
TPSA
112.63

LogP / Solubility

WLOGP
0.49
MLOGP
0.44
XLogP3
0.49
Consensus LogP
0.47
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.81

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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