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CAS 2216-35-5 2-BROMONONANE molecular structure lightbox
CAS RN: 2216-35-5

2-BROMONONANE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260603 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2216-35-5
  • Purity/Analytical Methods: >99.0%
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2216-35-5 / 2-bromononane

Standard CAS: 2216-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2216-35-5
Multi CAS
No
Molecular Formula
C9H19Br
Molecular Weight
207.150000
Exact Mass
206.067010
SMILES
CCCCCCCC(C)Br
InChI
InChI=1S/C9H19Br/c1-3-4-5-6-7-8-9(2)10/h9H,3-8H2,1-2H3
InChIKey
JQEFZTLHNWFZDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
6
Molar refractivity
51.77
TPSA
0.0000

LogP / Solubility

WLOGP
4.13
MLOGP
3.64
XLogP3
4.9
Consensus LogP
4.22
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
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)
-1.05

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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