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CAS 71041-21-9 10H-Phenoxazine, 10-(4-bromophenyl)- molecular structure lightbox
CAS RN: 71041-21-9

10H-Phenoxazine, 10-(4-bromophenyl)-

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250409 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS71041-21-9
  • Purity/Analytical Methods: >99.0%
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71041-21-9 / 10-(4-bromophenyl)phenoxazine

Standard CAS: 71041-21-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71041-21-9
Multi CAS
No
Molecular Formula
BC18H12ORn
Molecular Weight
338.200000
Exact Mass
337.010230
InChI
InChI=1S/C18H12BrNO/c19-13-9-11-14(12-10-13)20-15-5-1-3-7-17(15)21-18-8-4-2-6-16(18)20/h1-12H
InChIKey
KHHIALZHPCMMMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
88.9
TPSA
12.47

LogP / Solubility

WLOGP
6.02
MLOGP
5.32
XLogP3
5.5
Consensus LogP
5.61
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-6.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
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
No
Log Kp (skin permeation)
-0.51

Drug-likeness / Medicinal Chemistry

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

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