CAS RN: 2221949-02-4
Bis-peg10-nhs ester
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock2 grade groups
- Product code: SSC-106823
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2221949-02-4 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2221949-02-4
Multi CAS
No
Molecular Formula
C32H52N2O18
Molecular Weight
752.800000
Exact Mass
752.321513
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C32H52N2O18/c35-27-1-2-28(36)33(27)51-31(39)5-7-41-9-11-43-13-15-45-17-19-47-21-23-49-25-26-50-24-22-48-20-18-46-16-14-44-12-10-42-8-6-32(40)52-34-29(37)3-4-30(34)38/h1-26H2
InChIKey
DWCKFVMHVUBCKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Fraction Csp3
0.81
Rotatable bonds
35
H-bond acceptors
18
Molar refractivity
171.78
TPSA
219.66
LogP / Solubility
WLOGP
-0.85
MLOGP
-0.68
XLogP3
-3.4
Consensus LogP
-1.64
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-7.92
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
![CAS 2221988-52-7 (1S,6R)-8-methyl-3,8-diazabicyclo[4.2.0]octane dihydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(1S,6R)-8-methyl-3,8-diazabicyclo[4.2.0]octane dihydrochloride
- CAS RN: 2221988-52-7
- Product Code: SSC-106826
-
2-Propanol, 1-[bis(phenylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]-
- CAS RN: 2222094-18-8
- Product Code: starshine_CAS2222094-18-8
- Purity/Analytical method: >99.0%
-
-
-
1H-Isoindole-1,3(2H)-dione, 2-(2,6-dioxo-3-piperidinyl)-5-fluoro-6-(1-piperazinyl)-
- CAS RN: 2222114-22-7
- Product Code: SSC-106835
-
2-(2,6-DIOXOPIPERIDIN-3-YL)-5-FLUORO-6-(PIPERAZIN-1-YL)ISOINDOLINE-1,3-DIONE HCL
- CAS RN: 2222114-23-8
- Product Code: SSC-106836
![CAS 2221988-52-7 (1S,6R)-8-methyl-3,8-diazabicyclo[4.2.0]octane dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2221988-52-7.gif)
![CAS 2222094-18-8 2-Propanol, 1-[bis(phenylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222094-18-8.gif)
