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CAS 73674-09-6 8-bromoOctanoyl chloride molecular structure lightbox
CAS RN: 73674-09-6

8-bromoOctanoyl chloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS73674-09-6
  • Purity/Analytical Methods: >99.0%
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73674-09-6 / 8-bromooctanoyl chloride

Standard CAS: 73674-09-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73674-09-6
Multi CAS
No
Molecular Formula
C8H14BRCLO
Molecular Weight
241.550000
Exact Mass
239.991660
InChI
InChI=1S/C8H14BrClO/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2
InChIKey
JHGJURXAOMDIBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
52.36
TPSA
17.07

LogP / Solubility

WLOGP
3.49
MLOGP
3.07
XLogP3
2.3
Consensus LogP
2.95
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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)
-1.72

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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