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CAS 31792-49-1 6-METHYL-2-THIEN-2-YLQUINOLINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 31792-49-1

6-METHYL-2-THIEN-2-YLQUINOLINE-4-CARBOXYLIC ACID

  • Product code: SSC-137239
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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 31792-49-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

31792-49-1 / 6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid

Standard CAS: 31792-49-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31792-49-1
Multi CAS
Yes
Molecular Formula
C15H11NO2S
Molecular Weight
269.300000
Exact Mass
269.051050
InChI
InChI=1S/C15H11NO2S/c1-9-4-5-12-10(7-9)11(15(17)18)8-13(16-12)14-3-2-6-19-14/h2-8H,1H3,(H,17,18)
InChIKey
YZQFSFCRQKKUEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.75
TPSA
50.19

LogP / Solubility

WLOGP
3.97
MLOGP
3.5
XLogP3
3.5
Consensus LogP
3.66
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.95
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)
-1.54

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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