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CAS 24341-72-8 3-[(THIEN-2-YLCARBONYL)AMINO]BENZOIC ACID molecular structure lightbox
CAS RN: 24341-72-8

3-[(THIEN-2-YLCARBONYL)AMINO]BENZOIC ACID

  • Product code: SSC-118582
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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: 0.25g
  • Available purity: ＞97%
  • 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 24341-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

24341-72-8 / 3-(thiophene-2-carbonylamino)benzoic acid

Standard CAS: 24341-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24341-72-8
Multi CAS
No
Molecular Formula
C12H9NO3S
Molecular Weight
247.270000
Exact Mass
247.030314
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=CS2)C(=O)O
InChI
InChI=1S/C12H9NO3S/c14-11(10-5-2-6-17-10)13-9-4-1-3-8(7-9)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKey
JFACUNXDFKLILL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.67
TPSA
66.4

LogP / Solubility

WLOGP
2.7
MLOGP
2.38
XLogP3
2.3
Consensus LogP
2.46
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.31

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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