![CAS 2247347-75-5 9H-Carbazole, 2,7-bis(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2247347-75-5.gif)
CAS RN: 2247347-75-5
9H-Carbazole, 2,7-bis(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250220 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2247347-75-5
- Purity/Analytical Methods: >99.0%
2247347-75-5 / 2,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-9H-carbazole
Basic Information
CAS
2247347-75-5
Multi CAS
No
Molecular Formula
C24H17NO4S2
Molecular Weight
447.500000
Exact Mass
447.059900
SMILES
C1COC2=C(SC=C2O1)C3=CC4=C(C=C3)C5=C(N4)C=C(C=C5)C6=C7C(=CS6)OCCO7
InChI
InChI=1S/C24H17NO4S2/c1-3-15-16-4-2-14(24-22-20(12-31-24)27-6-8-29-22)10-18(16)25-17(15)9-13(1)23-21-19(11-30-23)26-5-7-28-21/h1-4,9-12,25H,5-8H2
InChIKey
SQKHBXMLZAVVGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
23
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
124.41
TPSA
52.71
LogP / Solubility
WLOGP
6.32
MLOGP
5.59
XLogP3
5.5
Consensus LogP
5.8
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.06
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 2247825-00-7 Stannane, 1,1′-(4,4,9,9-tetrahexyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b’]dithiophene-2,7-diyl)bis[1,1,1-trimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2247825-00-7.gif)
