CAS RN: 1179362-43-6
3-PropoxypicoliniMidaMide hydrochloride
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.20250723 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1179362-43-6
- Purity/Analytical Methods: >99.0%
1179362-43-6 / 3-propoxypyridine-2-carboximidamide;hydrochloride
3-propoxypicolinimidamide hydrochloride | 3-propoxypyridine-2-carboximidamide;hydrochloride | 3-PROPOXYPYRIDINE-2-CARBOXIMIDAMIDE HYDROCHLORIDE
Basic Information
CAS
1179362-43-6
Multi CAS
No
Molecular Formula
C9H14ClN3O
Molecular Weight
215.680000
Exact Mass
215.082540
SMILES
CCCOC1=C(N=CC=C1)C(=N)N.Cl
InChI
InChI=1S/C9H13N3O.ClH/c1-2-6-13-7-4-3-5-12-8(7)9(10)11;/h3-5H,2,6H2,1H3,(H3,10,11);1H
InChIKey
GLLWNDPTTPRZPQ-UHFFFAOYSA-N
Synonyms
3-propoxypicolinimidamide hydrochloride
3-propoxypyridine-2-carboximidamide;hydrochloride
3-PROPOXYPYRIDINE-2-CARBOXIMIDAMIDE HYDROCHLORIDE
3-Propoxypicolinimidamidehydrochloride
MFCD12755577
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.29
TPSA
71.99
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.58
Consensus LogP
1.52
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately 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)
-2.92
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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