CAS RN: 1179360-44-1
1,6-Naphthyridine-2-carboxiMidaMide hydrochloride
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS1179360-44-1
- Purity/Analytical Methods: >99.0%
1179360-44-1 / 1,6-naphthyridine-2-carboximidamide;hydrochloride
1,6-naphthyridine-2-carboximidamide hydrochloride | 1,6-naphthyridine-2-carboximidamide;hydrochloride | MFCD12755571
Basic Information
CAS
1179360-44-1
Multi CAS
No
Molecular Formula
C9H9ClN4
Molecular Weight
208.650000
Exact Mass
208.051574
SMILES
C1=CC(=NC2=C1C=NC=C2)C(=N)N.Cl
InChI
InChI=1S/C9H8N4.ClH/c10-9(11)8-2-1-6-5-12-4-3-7(6)13-8;/h1-5H,(H3,10,11);1H
InChIKey
BXXXFOITPZXWFP-UHFFFAOYSA-N
Synonyms
1,6-naphthyridine-2-carboximidamide hydrochloride
1,6-naphthyridine-2-carboximidamide;hydrochloride
MFCD12755571
1,6-naphthyridine-2-carboximidamide HCl
1,6-Naphthyridine-2-carboximidamidehydrochloride
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.8
TPSA
75.65
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.04
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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