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CAS 3515-34-2 [2,2′-Bithiophene]-5,5′-dicarboxylicacid molecular structure lightbox
CAS RN: 3515-34-2

[2,2′-Bithiophene]-5,5′-dicarboxylicacid

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250429 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20260217 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250830 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260401 5g In stock Shanghai, Chengdu Inquiry
  • Product code: LINB914164
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3515-34-2 / 5-(5-carboxythiophen-2-yl)thiophene-2-carboxylic acid

Standard CAS: 3515-34-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3515-34-2
Multi CAS
Yes
Molecular Formula
C10H6O4S2
Molecular Weight
254.300000
Exact Mass
253.970751
InChI
InChI=1S/C10H6O4S2/c11-9(12)7-3-1-5(15-7)6-2-4-8(16-6)10(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKey
DDFHBQSCUXNBSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.55
TPSA
74.6

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.7
Consensus LogP
2.7
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-2.23

Drug-likeness / Medicinal Chemistry

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

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