CAS RN: 803-14-5
Acetic acid, bromo(triphenylphosphoranylidene)-, ethyl ester
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-189224
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, 0.1g, 0.25g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 12
- 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 | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | >95% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 2 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 2 In Stock | Shanghai | Inquiry |
| 5g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 10g | -- | 2 In Stock | Beijing | Inquiry |
| 10g | >95% | 2 In Stock | Shanghai | Inquiry |
| 25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 1 In Stock | Hong Kong | Inquiry |
803-14-5 / ethyl 2-bromo-2-(triphenyl-lambda5-phosphanylidene)acetate
Basic Information
CAS
803-14-5
Multi CAS
No
Molecular Formula
C22H20BRO2P
Molecular Weight
427.300000
Exact Mass
426.038430
InChI
InChI=1S/C22H20BrO2P/c1-2-25-22(24)21(23)26(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17H,2H2,1H3
InChIKey
DYZCMZIYGNZTCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
115.72
TPSA
26.3
LogP / Solubility
WLOGP
4.07
MLOGP
3.61
XLogP3
5.5
Consensus LogP
4.39
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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