![CAS 1255309-04-6 7H-benzo[4,5]thieno[2,3-b]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1255309-04-6.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1255309-04-6 / 7H-[1]benzothiolo[2,3-b]carbazole
Basic Information
CAS
1255309-04-6
Multi CAS
No
Molecular Formula
C18H11NS
Molecular Weight
273.400000
Exact Mass
273.061221
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C3N2)SC5=CC=CC=C54
InChI
InChI=1S/C18H11NS/c1-3-7-15-11(5-1)13-9-14-12-6-2-4-8-17(12)20-18(14)10-16(13)19-15/h1-10,19H
InChIKey
XJRAPWXGPMNGLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
20
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.69
TPSA
15.79
LogP / Solubility
WLOGP
5.69
MLOGP
5.02
XLogP3
5.8
Consensus LogP
5.5
Log S (ESOL)
-5.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1255529-28-2 EthanediaMide, N1-(5-chloro-2-pyridinyl)-N2-[(1S,2S,4R)-4-[(diMethylaMino)carbonyl]-2-[[(4,5,6,7-tetrahydro-5-Methylthiazolo[5,4-c]pyridin-2-yl)carbonyl]aMino]cyclohexyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1255529-28-2.gif)