CAS RN: 1007386-15-3
m-PEG6-SS-PEG6-methyl
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.20260128 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1007386-15-3
- Purity/Analytical Methods: >99.0%
1007386-15-3 / 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
m-PEG6-SS-PEG6-methyl | 2,5,8,11,14,17,24,27,30,33,36,39-Dodecaoxa-20,21-dithiatetracontane | orb1988136
Basic Information
CAS
1007386-15-3
Multi CAS
No
Molecular Formula
C26H54O12S2
Molecular Weight
622.800000
Exact Mass
622.305670
SMILES
COCCOCCOCCOCCOCCOCCSSCCOCCOCCOCCOCCOCCOC
InChI
InChI=1S/C26H54O12S2/c1-27-3-5-29-7-9-31-11-13-33-15-17-35-19-21-37-23-25-39-40-26-24-38-22-20-36-18-16-34-14-12-32-10-8-30-6-4-28-2/h3-26H2,1-2H3
InChIKey
BGUPYWMPJFBFCS-UHFFFAOYSA-N
Synonyms
m-PEG6-SS-PEG6-methyl
2,5,8,11,14,17,24,27,30,33,36,39-Dodecaoxa-20,21-dithiatetracontane
orb1988136
SCHEMBL31087190
MFCD32207020
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
1
Rotatable bonds
37
H-bond acceptors
14
Molar refractivity
156.86
TPSA
110.76
LogP / Solubility
WLOGP
1.83
MLOGP
1.66
XLogP3
-0.9
Consensus LogP
0.86
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-9.66
Class (SILICOS-IT)
Insoluble
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)
-5.22
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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