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CAS 4378-61-4 4,10-Dibromonaphtho[7,8,1,2,3-nopqr]tetraphene-6,12-dione molecular structure lightbox
CAS RN: 4378-61-4

4,10-Dibromonaphtho[7,8,1,2,3-nopqr]tetraphene-6,12-dione

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 100g In stock Shanghai Inquiry
Batchno.20250727 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250209 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20250221 25g In stock Shanghai Inquiry
Batchno.20250930 500g In stock Shanghai Inquiry
Batchno.20260110 5g In stock Shanghai, Tianjin Inquiry
  • Product code: LIND843969
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4378-61-4 / 9,18-dibromohexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene-12,22-dione

Standard CAS: 4378-61-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4378-61-4
Multi CAS
No
Molecular Formula
C22H8BR2O2
Molecular Weight
464.100000
Exact Mass
463.887060
InChI
InChI=1S/C22H8Br2O2/c23-15-7-14-19-17-9(15)3-1-5-11(17)21(25)13-8-16(24)10-4-2-6-12(22(14)26)18(10)20(13)19/h1-8H
InChIKey
HTENFZMEHKCNMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
22
H-bond acceptors
2
Molar refractivity
114.59
TPSA
34.14

LogP / Solubility

WLOGP
5.96
MLOGP
5.28
XLogP3
6.5
Consensus LogP
5.91
Log S (ESOL)
-7.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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