[email protected]
CAS 179408-54-9 6-THIEN-2-YLNICOTINIC ACID molecular structure lightbox
CAS RN: 179408-54-9

6-THIEN-2-YLNICOTINIC ACID

  • Product code: SSC-079923
GET A QUOTE
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: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 179408-54-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

179408-54-9 / 6-thiophen-2-ylpyridine-3-carboxylic acid

Standard CAS: 179408-54-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
179408-54-9
Multi CAS
No
Molecular Formula
C10H7NO2S
Molecular Weight
205.230000
Exact Mass
205.019750
SMILES
C1=CSC(=C1)C2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H7NO2S/c12-10(13)7-3-4-8(11-6-7)9-2-1-5-14-9/h1-6H,(H,12,13)
InChIKey
QYGFXNUFKLRCRB-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
1.8
Consensus LogP
2.17
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

Customers Also Viewed

Get In Touch

Contact Us