![CAS 336607-95-5 2,3-DIHYDRO-7-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)THIENO[3,4-B][1,4]DIOXINE-5-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/336607-95-5.gif)
CAS RN: 336607-95-5
2,3-DIHYDRO-7-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)THIENO[3,4-B][1,4]DIOXINE-5-CARBALDEHYDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250701 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS336607-95-5
- Purity/Analytical Methods: >99.0%
336607-95-5 / 5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbaldehyde
Basic Information
CAS
336607-95-5
Multi CAS
No
Molecular Formula
C13H10O5S2
Molecular Weight
310.300000
Exact Mass
309.996966
InChI
InChI=1S/C13H10O5S2/c14-5-8-10-11(18-4-3-17-10)13(20-8)12-9-7(6-19-12)15-1-2-16-9/h5-6H,1-4H2
InChIKey
HPMLDCNGCAXENG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
75
TPSA
53.99
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
2.2
Consensus LogP
2.51
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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