CAS RN: 1099-45-2
Ethyl (Triphenylphosphoranylidene)acetate
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250831 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260622 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260204 | 250g | In stock | Shanghai | Inquiry |
| Batchno.20260608 | 25g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250518 | 5g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-011175
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: 5g, 10g, 25g, 100g, 1000g, 500g, 5000g, 10000g
- Available purity: >95%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 5g | >95% | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 5 In Stock | Beijing | Inquiry |
| 100g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 1000g | >95% | 5 In Stock | Shanghai | Inquiry |
| 500g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 5000g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 10000g | >95% | 1 In Stock | Shanghai | Inquiry |
1099-45-2 / ethyl 2-(triphenyl-lambda5-phosphanylidene)acetate
Ethyl (triphenylphosphoranylidene)acetate | (Carbethoxymethylene)triphenylphosphorane | (Ethoxycarbonylmethylene)triphenylphosphorane
Basic Information
CAS
1099-45-2
Multi CAS
Yes
Molecular Formula
C22H21O2P
Molecular Weight
348.400000
Exact Mass
348.127917
SMILES
CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H21O2P/c1-2-24-22(23)18-25(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
IIHPVYJPDKJYOU-UHFFFAOYSA-N
Synonyms
Ethyl (triphenylphosphoranylidene)acetate
(Carbethoxymethylene)triphenylphosphorane
(Ethoxycarbonylmethylene)triphenylphosphorane
NSC 72406
Phosphorane, (carboxymethylene)triphenyl-, ethyl ester
Physical Properties
Physical Description
Beige crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
107.85
TPSA
26.3
LogP / Solubility
WLOGP
3.35
MLOGP
2.96
XLogP3
4.3
Consensus LogP
3.54
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
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
No
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H300 (20%): Fatal if swallowed [Danger Acute toxicity, oral]
H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]
H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
