CAS RN: 69981-39-1
Bis-Tos-(2-hydroxyethyl disulfide)
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.20250308 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS69981-39-1
- Purity/Analytical Methods: >99.0%
69981-39-1 / 2-[2-(4-methylphenyl)sulfonyloxyethyldisulfanyl]ethyl 4-methylbenzenesulfonate
Basic Information
CAS
69981-39-1
Multi CAS
No
Molecular Formula
C18H22O6S4
Molecular Weight
462.600000
Exact Mass
462.029923
InChI
InChI=1S/C18H22O6S4/c1-15-3-7-17(8-4-15)27(19,20)23-11-13-25-26-14-12-24-28(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3
InChIKey
BBGVCMPJFAYXLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
11
H-bond acceptors
8
Molar refractivity
113.55
TPSA
86.74
LogP / Solubility
WLOGP
3.8
MLOGP
3.37
XLogP3
3.6
Consensus LogP
3.59
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
2,3-Dihydro-alpha-hydroxy-5-benzofuranacetic acid
- CAS RN: 69999-15-1
- Product Code: SSC-179750
-
4-chloro-N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
- CAS RN: 600130-11-8
- Product Code: starshine_CAS600130-11-8
- Purity/Analytical method: >99.0%
-
-
3-AMINO-3,4-DIHYDRO-1,5-NAPHTHYRIDIN-2(1H)-ONE
- CAS RN: 600157-67-3
- Product Code: SSC-168598
-
2,7,12-tribromo-5,5′,10,10′,15,15′-hexahexyltruxene
- CAS RN: 600172-86-9
- Product Code: SSC-168606
-
4-[(2-AMino-phenylaMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 600725-25-5
- Product Code: SSC-168655
![CAS 600725-25-5 4-[(2-AMino-phenylaMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/600725-25-5.gif)