CAS RN: 2199-44-2
Ethyl 3,5-Dimethyl-2-pyrrolecarboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260617 | 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-105766
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, 10g, 25g, 5g, 100g, 500g
- Available purity: >98%
- 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 | >98% | 5 In Stock | Shanghai | Inquiry |
| 10g | >98% | 5 In Stock | Beijing | Inquiry |
| 25g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 4 In Stock | Shenzhen | Inquiry |
| 100g | >98% | 3 In Stock | Beijing | Inquiry |
| 500g | >98% | 0 Out of Stock | Shanghai | Inquiry |
2199-44-2 / ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate
Basic Information
CAS
2199-44-2
Multi CAS
No
Molecular Formula
C9H13NO2
Molecular Weight
167.200000
Exact Mass
167.094629
SMILES
CCOC(=O)C1=C(C=C(N1)C)C
InChI
InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-7(3)10-8/h5,10H,4H2,1-3H3
InChIKey
IZSBSZYFPYIJDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.22
TPSA
42.09
LogP / Solubility
WLOGP
1.81
MLOGP
1.59
XLogP3
2
Consensus LogP
1.8
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.46
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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- Purity/Analytical method: >95.0%(GC)
