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CAS 338793-86-5 5-(3,4-Dichlorophenyl)thiophene-2-carboxylic acid molecular structure lightbox
CAS RN: 338793-86-5

5-(3,4-Dichlorophenyl)thiophene-2-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251124 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-140046
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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 338793-86-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

338793-86-5 / 5-(3,4-dichlorophenyl)thiophene-2-carboxylic acid

Standard CAS: 338793-86-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
338793-86-5
Multi CAS
No
Molecular Formula
C11H6CL2O2S
Molecular Weight
273.100000
Exact Mass
271.946556
InChI
InChI=1S/C11H6Cl2O2S/c12-7-2-1-6(5-8(7)13)9-3-4-10(16-9)11(14)15/h1-5H,(H,14,15)
InChIKey
DTTQYQNEMXQJDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.73
TPSA
37.3

LogP / Solubility

WLOGP
4.42
MLOGP
3.9
XLogP3
4.4
Consensus LogP
4.24
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.34
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.25

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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