![CAS 13321-61-4 [2-(ETHOXYCARBONYL)-2-OXOETHYLIDENE]TRIPHENYLPHOSPHORANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13321-61-4.gif)
CAS RN: 13321-61-4
[2-(ETHOXYCARBONYL)-2-OXOETHYLIDENE]TRIPHENYLPHOSPHORANE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-039879
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: 0.25g, 0.1g, 25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 3
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
13321-61-4 / ethyl 2-oxo-3-(triphenyl-lambda5-phosphanylidene)propanoate
Basic Information
CAS
13321-61-4
Multi CAS
No
Molecular Formula
C23H21O3P
Molecular Weight
376.400000
Exact Mass
376.122832
SMILES
CCOC(=O)C(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H21O3P/c1-2-26-23(25)22(24)18-27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3
InChIKey
OQLOPRPWPANPIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
112.85
TPSA
43.37
LogP / Solubility
WLOGP
2.91
MLOGP
2.59
XLogP3
4.2
Consensus LogP
3.23
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.95
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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- Product Code: SSC-039894
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![CAS 13323-42-7 3,9-Diazaspiro[5.5]undecane, 3-methyl-, hydrochloride (1:2) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62502425.gif)
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