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CAS 31230-24-7 5-Acetylamino-2-furancarboxylic acid methyl ester molecular structure lightbox
CAS RN: 31230-24-7

5-Acetylamino-2-furancarboxylic acid methyl ester

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260121 100mg In stock Shanghai Inquiry
Batchno.20250417 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250211 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260503 5g In stock Wuhan Inquiry
  • Product code: starshine_CAS31230-24-7
  • Purity/Analytical Methods: >99.0%
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31230-24-7 / methyl 5-acetamidofuran-2-carboxylate

Standard CAS: 31230-24-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31230-24-7
Multi CAS
No
Molecular Formula
C8H9NO4
Molecular Weight
183.160000
Exact Mass
183.053158
InChI
InChI=1S/C8H9NO4/c1-5(10)9-7-4-3-6(13-7)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKey
QNNUFCFGWWVMMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.35
TPSA
68.54

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
0.3
Consensus LogP
0.74
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11

Drug-likeness / Medicinal Chemistry

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

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