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CAS 424809-74-5 2-[(3-METHYL-2-FUROYL) AMINO] BENZOIC ACID molecular structure lightbox
CAS RN: 424809-74-5

2-[(3-METHYL-2-FUROYL) AMINO] BENZOIC ACID

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 100mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260423 1g In stock Shenzhen Inquiry
Batchno.20250722 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS424809-74-5
  • Purity/Analytical Methods: >99.0%
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424809-74-5 / 2-[(3-methylfuran-2-carbonyl)amino]benzoic acid

Standard CAS: 424809-74-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
424809-74-5
Multi CAS
No
Molecular Formula
C13H11NO4
Molecular Weight
245.230000
Exact Mass
245.068808
InChI
InChI=1S/C13H11NO4/c1-8-6-7-18-11(8)12(15)14-10-5-3-2-4-9(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKey
PRIZKRWQTVWBFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.8
TPSA
79.54

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.6
Consensus LogP
2.46
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly 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)
-2.41

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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