CAS RN: 478375-40-5
3-BROMO-5-METHYL-BENZOIC ACID METHYL ESTER
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-154796
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: 10g, 1g, 25g, 5g, 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 |
|---|---|---|---|---|
| 10g | >97% | 4 In Stock | Shanghai | Inquiry |
| 1g | >97% | 3 In Stock | Shanghai | Inquiry |
| 25g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 0 Out of Stock | Shanghai | Inquiry |
478375-40-5 / 5-(2-bromoethyl)-1,3-benzodioxole
Basic Information
CAS
478375-40-5
Multi CAS
Yes
Molecular Formula
C9H9BRO2
Molecular Weight
229.070000
Exact Mass
227.978590
InChI
InChI=1S/C9H9BrO2/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5H,1-2H3
InChIKey
OAOZBFUAVJUPED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.06
TPSA
18.46
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.9
Consensus LogP
2.44
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate
- CAS RN: 478375-42-7
- Product Code: SSC-154797
-
-
2-chlorobenzyl 5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl sulfide
- CAS RN: 478482-74-5
- Product Code: starshine_CAS478482-74-5
- Purity/Analytical method: >99.0%
-
2-THIO(3-IODOBENZYL)-5-(1-PYRIDYL)-[1,3,4]-OXADIAZOLE
- CAS RN: 478482-75-6
- Product Code: starshine_CAS478482-75-6
- Purity/Analytical method: >99.0%
-
-
3-Pyridinecarboximidamide,N-hydroxy-6-methoxy-(9CI)
- CAS RN: 478490-01-6
- Product Code: SSC-154803
![CAS 478403-55-3 [1,1′-Biphenyl]-3-aMine, 4-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/478403-55-3.gif)
![CAS 478482-75-6 2-THIO(3-IODOBENZYL)-5-(1-PYRIDYL)-[1,3,4]-OXADIAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2201711.gif)
