CAS RN: 2199-59-9
Ethyl 5-Formyl-2,4-dimethyl-3-pyrrolecarboxylate
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260606 | 100g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260525 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260425 | 1g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20260221 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250316 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250120 | 5g | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
- Product code: SSC-105773
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: 25g, 1g, 5g, 10g, 100g
- Available purity: >97%
- Inventory rows with stock: 4
- 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 |
|---|---|---|---|---|
| 25g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 2 In Stock | Shanghai | Inquiry |
| 5g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 1 In Stock | Beijing | Inquiry |
| 100g | >97% | 0 Out of Stock | Shanghai | Inquiry |
2199-59-9 / ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Basic Information
CAS
2199-59-9
Multi CAS
No
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
SMILES
CCOC(=O)C1=C(NC(=C1C)C=O)C
InChI
InChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)8(5-12)11-7(9)3/h5,11H,4H2,1-3H3
InChIKey
GDISALBEIGGPER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.61
TPSA
59.16
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.52
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 54660-00-3 3,6-Diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d3743-jpgcontextbwfzdgvyfhjvb3r8mzu4mdb8aw1hz2uvanblz3xozgyvagiwlzg5mzaymtk2ntuxotgvrdm3ndmuanbnfgq2zjblyjc4zthiodzlytg0mgy3zguymgzknwi5m2zjnzvknzm2nwjln2ewyjg2ywnkzme5zmq2yzbhndy4yjg.jpeg)
