![CAS 173897-44-4 (R)-4-(1-aMinoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzaMide dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/173897-44-4.gif)
CAS RN: 173897-44-4
(R)-4-(1-aMinoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzaMide dihydrochloride
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251106 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20251001 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 1g | Out of stock | Inquiry | |
| Batchno.20260110 | 250mg | Out of stock | Inquiry | |
| Batchno.20251125 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251121 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS173897-44-4
- Purity/Analytical Methods: >99.0%
173897-44-4 / 4-[(1R)-1-aminoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide;dihydrochloride
Basic Information
CAS
173897-44-4
Multi CAS
No
Molecular Formula
C16H18Cl2N4O
Molecular Weight
353.200000
Exact Mass
352.085767
SMILES
C[C@H](C1=CC=C(C=C1)C(=O)NC2=C3C=CNC3=NC=C2)N.Cl.Cl
InChI
InChI=1S/C16H16N4O.2ClH/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15;;/h2-10H,17H2,1H3,(H2,18,19,20,21);2*1H/t10-;;/m1../s1
InChIKey
CKFHAVRPVZNMGT-YQFADDPSSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
97.59
TPSA
83.8
LogP / Solubility
WLOGP
3.68
MLOGP
3.26
XLogP3
3.68
Consensus LogP
3.54
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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