![CAS 267413-09-2 (2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDIN-5-YL)METHANAMINE DIHYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/267413-09-2.gif)
CAS RN: 267413-09-2
(2,3-DIHYDRO-1H-PYRROLO[2,3-B]PYRIDIN-5-YL)METHANAMINE DIHYDROCHLORIDE
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.20251027 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS267413-09-2
- Purity/Analytical Methods: >99.0%
267413-09-2 / 2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-ylmethanamine;dihydrochloride
Basic Information
CAS
267413-09-2
Multi CAS
No
Molecular Formula
C8H13Cl2N3
Molecular Weight
222.110000
Exact Mass
221.048653
SMILES
C1CNC2=C1C=C(C=N2)CN.Cl.Cl
InChI
InChI=1S/C8H11N3.2ClH/c9-4-6-3-7-1-2-10-8(7)11-5-6;;/h3,5H,1-2,4,9H2,(H,10,11);2*1H
InChIKey
BGRDFGFWUFBODZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.82
TPSA
50.94
LogP / Solubility
WLOGP
1.35
MLOGP
1.19
XLogP3
1.35
Consensus LogP
1.3
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-3.12
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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