CAS RN: 2093153-99-0
Propargyl-PEG6-NHS ester
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-099129
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: 0.1g, 0.25g, 1g
- 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.
2093153-99-0 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2093153-99-0
Multi CAS
No
Molecular Formula
C20H31NO10
Molecular Weight
445.500000
Exact Mass
445.194796
SMILES
C#CCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C20H31NO10/c1-2-6-25-8-10-27-12-14-29-16-17-30-15-13-28-11-9-26-7-5-20(24)31-21-18(22)3-4-19(21)23/h1H,3-17H2
InChIKey
WVFFBCAEFRYUEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.75
Rotatable bonds
20
H-bond acceptors
10
Molar refractivity
105.54
TPSA
119.06
LogP / Solubility
WLOGP
-0.28
MLOGP
-0.22
XLogP3
-1.6
Consensus LogP
-0.7
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly 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)
-5.64
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
Customers Also Viewed
-
-
-
N-Benzyl-N-bis(PEG3-acid)
- CAS RN: 2093154-03-9
- Product Code: starshine_CAS2093154-03-9
- Purity/Analytical method: >99.0%
-
4H,8H-Benzo[1,2-c:4,5-c’]dithiophene-4,8-dione, 1,3-bis(5-bromo-2-thienyl)-5,7-bis(2-butyloctyl)-
- CAS RN: 2093197-75-0
- Product Code: starshine_CAS2093197-75-0
- Purity/Analytical method: >99.0%
-
2-((2-butyloctyl)thio)thiophene
- CAS RN: 2093197-82-9
- Product Code: starshine_CAS2093197-82-9
- Purity/Analytical method: >99.0%
-
1,3-Bis(5-bromothiophen-2-yl)-5,7-bis(2-butyloctyl)benzo[1,2-c:4,5-c’]dithiophene-4,8-dione
- CAS RN: 2093197-88-5
- Product Code: starshine_CAS2093197-88-5
- Purity/Analytical method: >99.0%
![CAS 2093197-75-0 4H,8H-Benzo[1,2-c:4,5-c’]dithiophene-4,8-dione, 1,3-bis(5-bromo-2-thienyl)-5,7-bis(2-butyloctyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2093197-75-0.png)
![CAS 2093197-88-5 1,3-Bis(5-bromothiophen-2-yl)-5,7-bis(2-butyloctyl)benzo[1,2-c:4,5-c’]dithiophene-4,8-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2093197-88-5.png)