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CAS 6497-78-5 RGW 611 molecular structure lightbox
CAS RN: 6497-78-5

RGW 611

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250710 1mg / 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS6497-78-5
  • Purity/Analytical Methods: >99.0%
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6497-78-5 / 4-[2-(4-nitroimidazol-1-yl)ethyl]morpholine

Standard CAS: 6497-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6497-78-5
Multi CAS
No
Molecular Formula
C9H14N4O3
Molecular Weight
226.230000
Exact Mass
226.106590
InChI
InChI=1S/C9H14N4O3/c14-13(15)9-7-12(8-10-9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2
InChIKey
VDZAAIIQCHGJAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
56.14
TPSA
73.43

LogP / Solubility

WLOGP
0.12
MLOGP
0.11
XLogP3
-0.6
Consensus LogP
-0.12
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-4.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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