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CAS 503468-95-9 NU 7441 molecular structure lightbox
CAS RN: 503468-95-9

NU 7441

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7 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250326 100mg Out of stock Inquiry
Batchno.20250320 10mg Out of stock Inquiry
Batchno.20260624 1g Out of stock Inquiry
Batchno.20260219 1mg In stock Shanghai Inquiry
Batchno.20251030 250mg Out of stock Inquiry
Batchno.20250902 50mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 1ml In stock Inquiry
  • Product code: ICTN1110
  • Purity/Analytical Methods: >98.0%(HPLC)
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503468-95-9 / 8-dibenzothiophen-4-yl-2-morpholin-4-ylchromen-4-one

Standard CAS: 503468-95-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
503468-95-9
Multi CAS
Yes
Molecular Formula
C25H19NO3S
Molecular Weight
413.500000
Exact Mass
413.108565
InChI
InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
InChIKey
JAMULYFATHSZJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
23
Fraction Csp3
0.16
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
123.84
TPSA
42.68

LogP / Solubility

WLOGP
5.66
MLOGP
5.01
XLogP3
5.5
Consensus LogP
5.39
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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