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CAS 392659-97-1 5-(Morpholinomethyl)-2-furaldehyde molecular structure lightbox
CAS RN: 392659-97-1

5-(Morpholinomethyl)-2-furaldehyde

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251017 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINM913603
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392659-97-1 / 5-(morpholin-4-ylmethyl)furan-2-carbaldehyde

Standard CAS: 392659-97-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
392659-97-1
Multi CAS
No
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
InChI
InChI=1S/C10H13NO3/c12-8-10-2-1-9(14-10)7-11-3-5-13-6-4-11/h1-2,8H,3-7H2
InChIKey
ZQILSGYYJOBENS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.19
TPSA
42.68

LogP / Solubility

WLOGP
0.92
MLOGP
0.81
XLogP3
0.3
Consensus LogP
0.68
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately 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)
-3.25

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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