CAS RN: 651042-85-2
2,5,8,11,14,17,20,23,26,29-Decaoxahentriacontane-31-thiol
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.20260515 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS651042-85-2
- Purity/Analytical Methods: >99.0%
651042-85-2 / 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Basic Information
CAS
651042-85-2
Multi CAS
No
Molecular Formula
C21H44O10S
Molecular Weight
488.600000
Exact Mass
488.265519
InChI
InChI=1S/C21H44O10S/c1-22-2-3-23-4-5-24-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32/h32H,2-21H2,1H3
InChIKey
GTRZIOCTKZBYHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
29
H-bond acceptors
11
H-bond donors
1
Molar refractivity
123.1
TPSA
92.3
LogP / Solubility
WLOGP
0.71
MLOGP
0.66
XLogP3
-1
Consensus LogP
0.12
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.91
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)
-5.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
1-(4-AMINOPIPERIDIN-1-YL)-2-HYDROXYETHANONE HCL
- CAS RN: 651056-82-5
- Product Code: SSC-174765
-
(3S)-1-methanesulfonylpyrrolidin-3-amine hydrochloride
- CAS RN: 651056-84-7
- Product Code: SSC-174766
-
(R)-1-(Methylsulfonyl)pyrrolidin-3-amine hydrochloride
- CAS RN: 651056-85-8
- Product Code: SSC-174767
-
1-(METHYLSULFONYL)PIPERIDIN-4-AMINE HYDROCHLORIDE
- CAS RN: 651057-01-1
- Product Code: SSC-174768
-
-
