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CAS 306972-63-4 1-bromo- 4-ethyloctane molecular structure lightbox
CAS RN: 306972-63-4

1-bromo- 4-ethyloctane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS306972-63-4
  • Purity/Analytical Methods: >99.0%
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306972-63-4 / 1-bromo-4-ethyloctane

Standard CAS: 306972-63-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
306972-63-4
Multi CAS
No
Molecular Formula
C10H21BR
Molecular Weight
221.180000
Exact Mass
220.082660
InChI
InChI=1S/C10H21Br/c1-3-5-7-10(4-2)8-6-9-11/h10H,3-9H2,1-2H3
InChIKey
ANXSXROUMJEOLH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
7
Molar refractivity
56.33
TPSA
0.0000

LogP / Solubility

WLOGP
4.38
MLOGP
3.86
XLogP3
5.2
Consensus LogP
4.48
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.96

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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