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CAS 321945-85-1 5,6,12,13-tetrabromo-Perylo[3,4-cd:9,10-c’d’]dipyran-1,3,8,10-tetrone molecular structure lightbox
CAS RN: 321945-85-1

5,6,12,13-tetrabromo-Perylo[3,4-cd:9,10-c’d’]dipyran-1,3,8,10-tetrone

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260418 200mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS321945-85-1
  • Purity/Analytical Methods: >99.0%
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321945-85-1 / 11,14,22,26-tetrabromo-7,18-dioxaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

Standard CAS: 321945-85-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321945-85-1
Multi CAS
No
Molecular Formula
C24H4BR4O6
Molecular Weight
707.900000
Exact Mass
707.670040
InChI
InChI=1S/C24H4Br4O6/c25-9-1-5-13-6(22(30)33-21(5)29)2-11(27)17-18-12(28)4-8-14-7(23(31)34-24(8)32)3-10(26)16(20(14)18)15(9)19(13)17/h1-4H
InChIKey
UOXUYVSOJYIQRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
20
H-bond acceptors
6
Molar refractivity
137.94
TPSA
86.74

LogP / Solubility

WLOGP
7.41
MLOGP
6.58
XLogP3
7.3
Consensus LogP
7.1
Log S (ESOL)
-9.33
Class (ESOL)
Insoluble
Log S (Ali)
-10.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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