![CAS 2408959-99-7 {1H-pyrrolo[3,2-c]pyridin-2-yl}methanamine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2408959-99-7.gif)
CAS RN: 2408959-99-7
{1H-pyrrolo[3,2-c]pyridin-2-yl}methanamine dihydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250506 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2408959-99-7
- Purity/Analytical Methods: >99.0%
2408959-99-7 / 1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine;dihydrochloride
Basic Information
CAS
2408959-99-7
Multi CAS
No
Molecular Formula
C8H11Cl2N3
Molecular Weight
220.100000
Exact Mass
219.033003
SMILES
C1=CN=CC2=C1NC(=C2)CN.Cl.Cl
InChI
InChI=1S/C8H9N3.2ClH/c9-4-7-3-6-5-10-2-1-8(6)11-7;;/h1-3,5,11H,4,9H2;2*1H
InChIKey
VJFSYGNSVYTKBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.48
TPSA
54.7
LogP / Solubility
WLOGP
1.87
MLOGP
1.64
XLogP3
1.87
Consensus LogP
1.79
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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