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CAS 109531-96-6 N-METHYLFUROHYDROXAMIC ACID molecular structure lightbox
CAS RN: 109531-96-6

N-METHYLFUROHYDROXAMIC ACID

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260519 200mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS109531-96-6
  • Purity/Analytical Methods: >99.0%
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109531-96-6 / N-hydroxy-N-methylfuran-2-carboxamide

N-hydroxy-N-methylfuran-2-carboxamide | N-Methylfurohydroxamic Acid | MFCD00144939

Standard CAS: 109531-96-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
109531-96-6
Multi CAS
Yes
Molecular Formula
C6H7NO3
Molecular Weight
141.120000
Exact Mass
141.042593
SMILES
CN(C(=O)C1=CC=CO1)O
InChI
InChI=1S/C6H7NO3/c1-7(9)6(8)5-3-2-4-10-5/h2-4,9H,1H3
InChIKey
KCAHIEOWHDMBKM-UHFFFAOYSA-N
Synonyms
N-hydroxy-N-methylfuran-2-carboxamide N-Methylfurohydroxamic Acid MFCD00144939 N-Methylfurohydroxamic Acid [Chelating Reagent for HPLC] N-hydroxy-N-methyl-2-furamide

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.59
TPSA
53.68

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
-0.1
Consensus LogP
0.43
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.05

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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