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CAS 1174223-25-6 benzo[1,2-b:3,4-b’:5,6-b”]tristhiophene-2,5,8-tricarboxylic acid molecular structure lightbox
CAS RN: 1174223-25-6

benzo[1,2-b:3,4-b’:5,6-b”]tristhiophene-2,5,8-tricarboxylic acid

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260617 100mg In stock Shanghai, Chongqing Inquiry
Batchno.20250421 1g Out of stock 5-7 business days Inquiry
Batchno.20260406 25mg In stock Shanghai, Guangdong Inquiry
Batchno.20260201 500mg In stock Shanghai Inquiry
  • Product code: SSC-017293
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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: 1g
  • 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 1174223-25-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

1174223-25-6 / 3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene-4,9,14-tricarboxylic acid

Benzo[1,2-b:3,4-b':5,6-b'']trithiophene-2,5,8-tricarboxylic acid | 3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene-4,9,14-tricarboxylic acid | Benzo[1,2-b:3,4-b

Standard CAS: 1174223-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1174223-25-6
Multi CAS
No
Molecular Formula
C15H6O6S3
Molecular Weight
378.400000
Exact Mass
377.932651
SMILES
C1=C(SC2=C1C3=C(C=C(S3)C(=O)O)C4=C2C=C(S4)C(=O)O)C(=O)O
InChI
InChI=1S/C15H6O6S3/c16-13(17)7-1-4-10(22-7)5-2-9(15(20)21)24-12(5)6-3-8(14(18)19)23-11(4)6/h1-3H,(H,16,17)(H,18,19)(H,20,21)
InChIKey
NZKKLAALKJGLDC-UHFFFAOYSA-N
Synonyms
Benzo[1,2-b:3,4-b':5,6-b'']trithiophene-2,5,8-tricarboxylic acid 3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),4,7(11),9,14-hexaene-4,9,14-tricarboxylic acid Benzo[1,2-b:3,4-b YSZC236 SCHEMBL16749643

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
3
Molar refractivity
93.47
TPSA
111.9

LogP / Solubility

WLOGP
4.43
MLOGP
3.92
XLogP3
4.6
Consensus LogP
4.32
Log S (ESOL)
-5.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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