CAS RN: 558484-21-2
DoPAT
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251109 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250609 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260413 | 250mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250814 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260512 | 500g | Out of stock | Inquiry | |
| Batchno.20260211 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS558484-21-2
- Purity/Analytical Methods: >99.0%
558484-21-2 / 2-dodecylsulfanylcarbothioylsulfanylpropanoic acid
Basic Information
CAS
558484-21-2
Multi CAS
No
Molecular Formula
C16H30O2S3
Molecular Weight
350.600000
Exact Mass
350.140794
InChI
InChI=1S/C16H30O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(19)21-14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18)
InChIKey
CFCFZJHCTNKHGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
1
Molar refractivity
101.59
TPSA
37.3
LogP / Solubility
WLOGP
6.13
MLOGP
5.41
XLogP3
7.8
Consensus LogP
6.45
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.86
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.59
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
VER-49009
- CAS RN: 558640-51-0
- Product Code: starshine_CAS558640-51-0
- Purity/Analytical method: >99.0%
-
EUROPIUM(III) BROMIDE HYDRATE 99.99+ %
- CAS RN: 560069-78-5
- Product Code: starshine_CAS560069-78-5
- Purity/Analytical method: >99.0%
-
2,6-Dichloro-N-(4-chlorophenyl)-benzeneacetaMide
- CAS RN: 560075-65-2
- Product Code: SSC-163979
-
-
6-BROMO-8-FLUORO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
- CAS RN: 560082-53-3
- Product Code: SSC-163985
-
Quinoline, 7-fluoro-1,2,3,4-tetrahydro-2-methyl- (9CI)
- CAS RN: 560085-09-8
- Product Code: starshine_CAS560085-09-8
- Purity/Analytical method: >99.0%
![CAS 560082-51-1 8-FLUORO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/560082-51-1.gif)
![CAS 560082-53-3 6-BROMO-8-FLUORO-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/560082-53-3.gif)
