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CAS 26268-04-2 4H-THIENO[3,2-C]CHROMENE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 26268-04-2

4H-THIENO[3,2-C]CHROMENE-2-CARBOXYLIC ACID

  • Product code: SSC-123578
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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: ≥95%
  • 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 26268-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

26268-04-2 / 4H-thieno[3,2-c]chromene-2-carboxylic acid

Standard CAS: 26268-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26268-04-2
Multi CAS
No
Molecular Formula
C12H8O3S
Molecular Weight
232.260000
Exact Mass
232.019415
SMILES
C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)O
InChI
InChI=1S/C12H8O3S/c13-12(14)10-5-7-6-15-9-4-2-1-3-8(9)11(7)16-10/h1-5H,6H2,(H,13,14)
InChIKey
ZMEWPWRPNHFDRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.05
TPSA
46.53

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
2.7
Consensus LogP
2.79
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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