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CAS 23950-59-6 3,5-Dibromobenzoyl chloride molecular structure lightbox
CAS RN: 23950-59-6

3,5-Dibromobenzoyl chloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23950-59-6
  • Purity/Analytical Methods: >99.0%
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23950-59-6 / 3,5-dibromobenzoyl chloride

Standard CAS: 23950-59-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23950-59-6
Multi CAS
No
Molecular Formula
C7H3Br2ClO
Molecular Weight
298.360000
Exact Mass
297.821870
SMILES
C1=C(C=C(C=C1Br)Br)C(=O)Cl
InChI
InChI=1S/C7H3Br2ClO/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H
InChIKey
HLAJZZSBQMLRKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.03
TPSA
17.07

LogP / Solubility

WLOGP
3.59
MLOGP
3.17
XLogP3
3.8
Consensus LogP
3.52
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly 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)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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