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CAS 3759-92-0 Furaltadone hydrochloride molecular structure lightbox
CAS RN: 3759-92-0

Furaltadone hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260510 0.1g In stock Inquiry
  • Product code: starshine_CAS3759-92-0
  • Purity/Analytical Methods: >99.0%
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3759-92-0 / 5-(morpholin-4-ylmethyl)-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one;hydrochloride

Standard CAS: 3759-92-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3759-92-0
Multi CAS
Yes
Molecular Formula
C13H17CLN4O6
Molecular Weight
360.750000
Exact Mass
360.083662
InChI
InChI=1S/C13H16N4O6.ClH/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;/h1-2,7,11H,3-6,8-9H2;1H/b14-7+;
InChIKey
PPSVFZXMDMUIGB-FJUODKGNSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
84.44
TPSA
110.65

LogP / Solubility

WLOGP
1.1
MLOGP
0.98
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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