CAS RN: 5408-07-1
ETHYL 4-BROMO-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLATE
- Product code: SSC-161617
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: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 5 In Stock | Shanghai | Inquiry |
| 1g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 3 In Stock | Shanghai | Inquiry |
| 25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 1 In Stock | Hong Kong | Inquiry |
5408-07-1 / ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate
Basic Information
CAS
5408-07-1
Multi CAS
No
Molecular Formula
BC9H12O2Rn
Molecular Weight
246.100000
Exact Mass
245.005140
InChI
InChI=1S/C9H12BrNO2/c1-4-13-9(12)8-5(2)7(10)6(3)11-8/h11H,4H2,1-3H3
InChIKey
POLBZQUAKJYNIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.92
TPSA
42.09
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
2.7
Consensus LogP
2.51
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
ethyl 4-iodo-3,5-dimethyl-1H-pyrrole-2-carboxylate
- CAS RN: 5408-08-2
- Product Code: SSC-161618
-
3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID 2-ETHYL ESTER
- CAS RN: 5408/10/6
- Product Code: SSC-161619
-
[ethane-1,2-diylbis(oxybenzene-4,1-diyl)]bis(phenylmethanone)
- CAS RN: 5410-01-5
- Product Code: starshine_CAS5410-01-5
- Purity/Analytical method: >99.0%
-
-
-
![CAS 5410-01-5 [ethane-1,2-diylbis(oxybenzene-4,1-diyl)]bis(phenylmethanone) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5410-01-5.gif)
