CAS RN: 1059604-93-1
m-PEG13-Ms
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251108 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1059604-93-1
- Purity/Analytical Methods: >99.0%
1059604-93-1 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
m-PEG13-Ms | Ms-PEG12-m | 2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-yl methanesulfonate
Basic Information
CAS
1059604-93-1
Multi CAS
No
Molecular Formula
C26H54O15S
Molecular Weight
638.800000
Exact Mass
638.318342
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C26H54O15S/c1-29-3-4-30-5-6-31-7-8-32-9-10-33-11-12-34-13-14-35-15-16-36-17-18-37-19-20-38-21-22-39-23-24-40-25-26-41-42(2,27)28/h3-26H2,1-2H3
InChIKey
JKPOVWOBYWMPRZ-UHFFFAOYSA-N
Synonyms
m-PEG13-Ms
Ms-PEG12-m
2,5,8,11,14,17,20,23,26,29,32,35-dodecaoxaheptatriacontan-37-yl methanesulfonate
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
orb1989082
Computed Properties
Structural Parameters
Heavy atom count
42
Fraction Csp3
1
Rotatable bonds
37
H-bond acceptors
15
Molar refractivity
151.68
TPSA
154.13
LogP / Solubility
WLOGP
-0.21
MLOGP
-0.13
XLogP3
-2.1
Consensus LogP
-0.81
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.08
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)
-6.76
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
-
-
-
ethyl(4aS,9bR)-6-bromo-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate
- CAS RN: 1059630-08-8
- Product Code: SSC-007598
-
1H-Pyrido[4,3-b]indole, 6-bromo-2,3,4,5-tetrahydro-, hydrochloride (1:1)
- CAS RN: 1059630-11-3
- Product Code: SSC-007599
-
6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
- CAS RN: 1059630-12-4
- Product Code: SSC-007600
-
(4aS,9bR)-6-bromo-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole
- CAS RN: 1059630-13-5
- Product Code: SSC-007601
![CAS 1059630-08-8 ethyl(4aS,9bR)-6-bromo-1,3,4,4a,5,9b-hexahydro-2H-pyrido[4,3-b]indole-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1059630-08-8.gif)
![CAS 1059630-11-3 1H-Pyrido[4,3-b]indole, 6-bromo-2,3,4,5-tetrahydro-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1059630-11-3.gif)
![CAS 1059630-12-4 6-bromo-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1059630-12-4.gif)
![CAS 1059630-13-5 (4aS,9bR)-6-bromo-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1059630-13-5.gif)