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CAS 222-21-9 12H- [1] benzothieno [2,3-a] carbazole molecular structure lightbox
CAS RN: 222-21-9

12H- [1] benzothieno [2,3-a] carbazole

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250425 1g In stock Inquiry
Batchno.20250225 250mg In stock Inquiry
Batchno.20250111 5g In stock Inquiry
  • Product code: SSC-106780
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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: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 222-21-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

222-21-9 / 12H-[1]benzothiolo[2,3-a]carbazole

Standard CAS: 222-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
222-21-9
Multi CAS
No
Molecular Formula
C18H11NS
Molecular Weight
273.400000
Exact Mass
273.061221
SMILES
C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C3)C5=CC=CC=C5S4
InChI
InChI=1S/C18H11NS/c1-3-7-15-11(5-1)13-9-10-14-12-6-2-4-8-16(12)20-18(14)17(13)19-15/h1-10,19H
InChIKey
CILATXQQOGDBRQ-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
5.7
Consensus LogP
5.47
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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