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
- Available purity: >95%
- 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 | >95% | 3 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 2 In Stock | Shanghai | Inquiry |
| 10g | >95% | 2 In Stock | Beijing | Inquiry |
| 25g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 2 In Stock | Shanghai | Inquiry |
26510-95-2 / ethyl 3-(4-bromophenyl)-3-oxopropanoate
Basic Information
CAS
26510-95-2
Multi CAS
No
Molecular Formula
C11H11BrO3
Molecular Weight
271.110000
Exact Mass
269.989160
SMILES
CCOC(=O)CC(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChIKey
PBDYXCKRDRCJDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
59.72
TPSA
43.37
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly 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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
