![CAS 30119-32-5 ETHYL 2-AMINO-1-(2-HYDROXYETHYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/30119-32-5.gif)
CAS RN: 30119-32-5
ETHYL 2-AMINO-1-(2-HYDROXYETHYL)-1H-PYRROLO[2,3-B]QUINOXALINE-3-CARBOXYLATE
- Product code: SSC-133779
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
30119-32-5 / ethyl 2-amino-1-(2-hydroxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Basic Information
CAS
30119-32-5
Multi CAS
No
Molecular Formula
C15H16N4O3
Molecular Weight
300.310000
Exact Mass
300.122240
InChI
InChI=1S/C15H16N4O3/c1-2-22-15(21)11-12-14(19(7-8-20)13(11)16)18-10-6-4-3-5-9(10)17-12/h3-6,20H,2,7-8,16H2,1H3
InChIKey
WIMAHZXPMSOQEM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
13
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
2
Molar refractivity
82.49
TPSA
103.26
LogP / Solubility
WLOGP
1.34
MLOGP
1.19
XLogP3
1.1
Consensus LogP
1.21
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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