![CAS 2204255-39-8 (1H-Pyrrolo[2,3-c]pyridin-2-yl)methanamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2204255-39-8.gif)
CAS RN: 2204255-39-8
(1H-Pyrrolo[2,3-c]pyridin-2-yl)methanamine hydrochloride
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS2204255-39-8
- Purity/Analytical Methods: >99.0%
2204255-39-8 / 1H-pyrrolo[2,3-c]pyridin-2-ylmethanamine;hydrochloride
Basic Information
CAS
2204255-39-8
Multi CAS
No
Molecular Formula
C8H10ClN3
Molecular Weight
183.640000
Exact Mass
183.056325
SMILES
C1=CN=CC2=C1C=C(N2)CN.Cl
InChI
InChI=1S/C8H9N3.ClH/c9-4-7-3-6-1-2-10-5-8(6)11-7;/h1-3,5,11H,4,9H2;1H
InChIKey
UNUNPJLXCZCCKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.23
TPSA
54.7
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.44
Consensus LogP
1.38
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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