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CAS 23893-84-7 4,5-dibromohexahydrophthalic anhydride molecular structure lightbox
CAS RN: 23893-84-7

4,5-dibromohexahydrophthalic anhydride

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250106 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251221 100mg In stock Shanghai Inquiry
Batchno.20260318 1g In stock Shanghai Inquiry
Batchno.20251125 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS23893-84-7
  • Purity/Analytical Methods: >99.0%
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23893-84-7 / 5,6-dibromo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione

Standard CAS: 23893-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23893-84-7
Multi CAS
No
Molecular Formula
C8H8Br2O3
Molecular Weight
311.950000
Exact Mass
311.881970
SMILES
C1C2C(CC(C1Br)Br)C(=O)OC2=O
InChI
InChI=1S/C8H8Br2O3/c9-5-1-3-4(2-6(5)10)8(12)13-7(3)11/h3-6H,1-2H2
InChIKey
MTFOVFKEUAKPNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.75
H-bond acceptors
3
Molar refractivity
52.74
TPSA
43.37

LogP / Solubility

WLOGP
1.62
MLOGP
1.44
XLogP3
1.7
Consensus LogP
1.59
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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