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CAS 5657-19-2 N-(2-furoyl)glycine molecular structure lightbox
CAS RN: 5657-19-2

N-(2-furoyl)glycine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250411 10mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: LINN891357
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5657-19-2 / 2-(furan-2-carbonylamino)acetic acid

Standard CAS: 5657-19-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5657-19-2
Multi CAS
Yes
Molecular Formula
C7H7NO4
Molecular Weight
169.130000
Exact Mass
169.037508
InChI
InChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
InChIKey
KSPQDMRTZZYQLM-UHFFFAOYSA-N

Physical Properties

Melting Point
163 - 165 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.68
TPSA
79.54

LogP / Solubility

WLOGP
0.09
MLOGP
0.08
XLogP3
-0.1
Consensus LogP
0.02
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68

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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