CAS RN: 259139-19-0
3,4-(2′,2′-DIETHYLPROPYLENE)DIOXYTHIOPHENE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260130 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260516 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250228 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260629 | 250mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20251017 | 5g | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260409 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS259139-19-0
- Purity/Analytical Methods: >99.0%
259139-19-0 / 4-(furan-2-ylmethylsulfanyl)-4-methylpentan-2-one
Basic Information
CAS
259139-19-0
Multi CAS
No
Molecular Formula
C11H16O2S
Molecular Weight
212.310000
Exact Mass
212.087101
SMILES
CC(=O)CC(C)(C)SCC1=CC=CO1
InChI
InChI=1S/C11H16O2S/c1-3-11(4-2)7-12-9-5-14-6-10(9)13-8-11/h5-6H,3-4,7-8H2,1-2H3
InChIKey
HMKHKPKUPVRLOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
59.38
TPSA
30.21
LogP / Solubility
WLOGP
3.27
MLOGP
2.88
XLogP3
1.7
Consensus LogP
2.62
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.35
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
tert-Butyl 4-(fluoromethyl)piperidine-1-carboxylate
- CAS RN: 259143-03-8
- Product Code: SSC-122598
-
3′-Hydroxydehydroaglaiastatin
- CAS RN: 259143-58-3
- Product Code: starshine_CAS259143-58-3
- Purity/Analytical method: >99.0%
-
-
METHYL 3-PHENYL-1,2,4-OXADIAZOLE-5-CARBOXYLATE
- CAS RN: 259150-97-5
- Product Code: SSC-122602
-
2-CYANOMETHYL-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS RN: 259180-69-3
- Product Code: SSC-122610
-
