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CAS 42933-44-8 5-amino-1-benzofuran-2-carboxylic acid molecular structure lightbox
CAS RN: 42933-44-8

5-amino-1-benzofuran-2-carboxylic acid

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250418 1g In stock Shanghai Inquiry
Batchno.20250213 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250410 5g Out of stock Inquiry
  • Product code: starshine_CAS42933-44-8
  • Purity/Analytical Methods: >99.0%
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42933-44-8 / 5-amino-1-benzofuran-2-carboxylic acid

Standard CAS: 42933-44-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42933-44-8
Multi CAS
No
Molecular Formula
C9H7NO3
Molecular Weight
177.160000
Exact Mass
177.042593
InChI
InChI=1S/C9H7NO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,10H2,(H,11,12)
InChIKey
IIBKBXGCIDLMOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.59
TPSA
76.46

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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