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CAS 1179533-40-4 2-Pyridinecarboximidamide, 4-methoxy- molecular structure lightbox
CAS RN: 1179533-40-4

2-Pyridinecarboximidamide, 4-methoxy-

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Batchno.20250121 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1179533-40-4
  • Purity/Analytical Methods: >99.0%
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1179533-40-4 / 4-methoxypyridine-2-carboximidamide

4-Methoxypicolinimidamide | 4-methoxypyridine-2-carboximidamide | MFCD17252509

Standard CAS: 1179533-40-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1179533-40-4
Multi CAS
No
Molecular Formula
C7H9N3O
Molecular Weight
151.170000
Exact Mass
151.074562
SMILES
COC1=CC(=NC=C1)C(=N)N
InChI
InChI=1S/C7H9N3O/c1-11-5-2-3-10-6(4-5)7(8)9/h2-4H,1H3,(H3,8,9)
InChIKey
NUTRTCUOCZLCCS-UHFFFAOYSA-N
Synonyms
4-Methoxypicolinimidamide 4-methoxypyridine-2-carboximidamide MFCD17252509 SCHEMBL14266624 SCHEMBL18301257

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.81
TPSA
71.99

LogP / Solubility

WLOGP
0.37
MLOGP
0.32
XLogP3
0.1
Consensus LogP
0.26
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.19
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)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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