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CAS 893723-32-5 5-(thiophen-3-yl)pyridine-3-carboxylic acid molecular structure lightbox
CAS RN: 893723-32-5

5-(thiophen-3-yl)pyridine-3-carboxylic acid

  • Product code: SSC-201297
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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 893723-32-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

893723-32-5 / 5-thiophen-3-ylpyridine-3-carboxylic acid

Standard CAS: 893723-32-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893723-32-5
Multi CAS
No
Molecular Formula
C10H7NO2S
Molecular Weight
205.230000
Exact Mass
205.019750
InChI
InChI=1S/C10H7NO2S/c12-10(13)9-3-8(4-11-5-9)7-1-2-14-6-7/h1-6H,(H,12,13)
InChIKey
QZPQTJJXLAOEQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.51
TPSA
50.19

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
1.7
Consensus LogP
2.14
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.19

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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