![CAS 1239981-28-2 5-(9H-fluoren-2-yl)-2,3-dihydrothieno[3,4-b][1,4] dioxine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1239981-28-2.gif)
CAS RN: 1239981-28-2
5-(9H-fluoren-2-yl)-2,3-dihydrothieno[3,4-b][1,4] dioxine
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.20251111 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1239981-28-2
- Purity/Analytical Methods: >99.0%
1239981-28-2 / 5-(9H-fluoren-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
Basic Information
CAS
1239981-28-2
Multi CAS
No
Molecular Formula
C19H14O2S
Molecular Weight
306.400000
Exact Mass
306.071451
SMILES
C1COC2=C(SC=C2O1)C3=CC4=C(C=C3)C5=CC=CC=C5C4
InChI
InChI=1S/C19H14O2S/c1-2-4-15-12(3-1)9-14-10-13(5-6-16(14)15)19-18-17(11-22-19)20-7-8-21-18/h1-6,10-11H,7-9H2
InChIKey
LIYGVGXASWRPJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.16
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
88.99
TPSA
18.46
LogP / Solubility
WLOGP
4.76
MLOGP
4.2
XLogP3
4.6
Consensus LogP
4.52
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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