CAS RN: 1245823-51-1
Acetylene-PEG5-acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-028563
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, 0.25g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 1
- 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% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | >95% | 0 Out of Stock | Beijing | Inquiry |
| 25g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1245823-51-1 / 3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
1245823-51-1
Multi CAS
No
Molecular Formula
C14H24O7
Molecular Weight
304.340000
Exact Mass
304.152203
SMILES
C#CCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C14H24O7/c1-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-14(15)16/h1H,3-13H2,(H,15,16)
InChIKey
GWIACWQVTBMVEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.79
Rotatable bonds
16
H-bond acceptors
6
H-bond donors
1
Molar refractivity
75.18
TPSA
83.45
LogP / Solubility
WLOGP
0.18
MLOGP
0.17
XLogP3
-0.9
Consensus LogP
-0.18
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317
Customers Also Viewed
-
3-(Methoxymethoxy)phenylboronic Acid Pinacol Ester
- CAS RN: 1245824-36-5
- Product Code: SSC-028565
-
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutanecarbonitrile
- CAS RN: 1245831-55-3
- Product Code: SSC-028566
-
2-(2,4,6-trichloropyrimidin-5-yl)acetaldehyde
- CAS RN: 1245898-27-4
- Product Code: SSC-028569
-
-
-
Potassium (2-chloropyrimidin-5-yl)trifluoroborate
- CAS RN: 1245906-70-0
- Product Code: SSC-028572
![CAS 1245831-55-3 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutanecarbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1245831-55-3.gif)
