![CAS 1706440-13-2 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB03987908.gif)
CAS RN: 1706440-13-2
1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-amine dihydrochloride
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.20260515 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1706440-13-2
- Purity/Analytical Methods: >99.0%
1706440-13-2 / 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-amine;dihydrochloride
Basic Information
CAS
1706440-13-2
Multi CAS
No
Molecular Formula
C6H12Cl2N4
Molecular Weight
211.090000
Exact Mass
210.043902
SMILES
C1CNCC2=C1NN=C2N.Cl.Cl
InChI
InChI=1S/C6H10N4.2ClH/c7-6-4-3-8-2-1-5(4)9-10-6;;/h8H,1-3H2,(H3,7,9,10);2*1H
InChIKey
WKVHEAOOFVVASV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
52.91
TPSA
66.73
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
0.48
Consensus LogP
0.46
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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