![CAS 149818-23-5 (2S)-2-amino-3-{1H-pyrrolo[3,2-b]pyridin-3-yl}propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/149818-23-5.gif)
CAS RN: 149818-23-5
(2S)-2-amino-3-{1H-pyrrolo[3,2-b]pyridin-3-yl}propanoic acid
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250201 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS149818-23-5
- Purity/Analytical Methods: >99.0%
149818-23-5 / (2S)-2-amino-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)propanoic acid
Basic Information
CAS
149818-23-5
Multi CAS
No
Molecular Formula
C10H11N3O2
Molecular Weight
205.210000
Exact Mass
205.085127
SMILES
C1=CC2=C(C(=CN2)C[C@@H](C(=O)O)N)N=C1
InChI
InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1
InChIKey
FICCYWIDRZLXIS-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
55.41
TPSA
92
LogP / Solubility
WLOGP
0.52
MLOGP
0.46
XLogP3
-2.3
Consensus LogP
-0.44
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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