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CAS 41819-13-0 3,6-DIBROMO-1,2,4,5-BENZENETETRACARBOXYLIC ACID molecular structure lightbox
CAS RN: 41819-13-0

3,6-DIBROMO-1,2,4,5-BENZENETETRACARBOXYLIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20251022 1g In stock Shanghai Inquiry
Batchno.20251102 250mg In stock Shanghai Inquiry
Batchno.20250505 5g In stock Shanghai Inquiry
  • Product code: LIND888189
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41819-13-0 / 3,6-dibromobenzene-1,2,4,5-tetracarboxylic acid

Standard CAS: 41819-13-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
41819-13-0
Multi CAS
No
Molecular Formula
C10H4BR2O8
Molecular Weight
411.940000
Exact Mass
411.825240
InChI
InChI=1S/C10H4Br2O8/c11-5-1(7(13)14)2(8(15)16)6(12)4(10(19)20)3(5)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKey
QBQVZJOTWWDILN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
69.68
TPSA
149.2

LogP / Solubility

WLOGP
2
MLOGP
1.79
XLogP3
1.4
Consensus LogP
1.73
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.81

Drug-likeness / Medicinal Chemistry

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

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