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, 25g, 100g, 500g, 1000g
- Available purity: >98%
- Inventory rows with stock: 10
- 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 | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Hong Kong | Inquiry |
| 5g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | >98% | 5 In Stock | Shanghai | Inquiry |
| 25g | -- | 5 In Stock | Shenzhen | Inquiry |
| 25g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 100g | -- | 5 In Stock | Hong Kong | Inquiry |
| 100g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 500g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
35450-36-3 / methyl 2-bromo-5-methoxybenzoate
Basic Information
CAS
35450-36-3
Multi CAS
No
Molecular Formula
C9H9BRO3
Molecular Weight
245.070000
Exact Mass
243.973510
InChI
InChI=1S/C9H9BrO3/c1-12-6-3-4-8(10)7(5-6)9(11)13-2/h3-5H,1-2H3
InChIKey
VRTQLDFCPNVQNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.03
TPSA
35.53
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
3.5
Consensus LogP
2.57
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
