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CAS 34198-08-8 5-bromohexan-1-ol molecular structure lightbox
CAS RN: 34198-08-8

5-bromohexan-1-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS34198-08-8
  • Purity/Analytical Methods: >99.0%
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34198-08-8 / 5-bromohexan-1-ol

Standard CAS: 34198-08-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34198-08-8
Multi CAS
No
Molecular Formula
C6H13BRO
Molecular Weight
181.070000
Exact Mass
180.014980
InChI
InChI=1S/C6H13BrO/c1-6(7)4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKey
UQMHPYHWZYJAAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.33
TPSA
20.23

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.8
Consensus LogP
1.81
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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