CAS RN: 252932-49-3
3-Amino-2-ethoxycarbonylpyrrole hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250305 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: SSC-121131
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 100g, 0.25g, 25g, 500g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 3 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 500g | >97% | 0 Out of Stock | Shanghai | Inquiry |
252932-49-3 / (2-ethoxycarbonyl-1H-pyrrol-3-yl)azanium chloride
Basic Information
CAS
252932-49-3
Multi CAS
No
Molecular Formula
C7H11ClN2O2
Molecular Weight
190.630000
Exact Mass
190.050905
SMILES
CCOC(=O)C1=C(C=CN1)[NH3+].[Cl-]
InChI
InChI=1S/C7H10N2O2.ClH/c1-2-11-7(10)6-5(8)3-4-9-6;/h3-4,9H,2,8H2,1H3;1H
InChIKey
MWWQOUGXCWIOSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.3
TPSA
69.73
LogP / Solubility
WLOGP
-2.93
MLOGP
-2.58
XLogP3
-2.93
Consensus LogP
-2.81
Log S (ESOL)
0.65
Class (ESOL)
Highly soluble
Log S (Ali)
0.99
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.29
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-5.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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