CAS RN: 137008-31-2
1-bromo– 5-ethylnonane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250515 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS137008-31-2
- Purity/Analytical Methods: >99.0%
137008-31-2 / 1-bromo-5-ethylnonane
Basic Information
CAS
137008-31-2
Multi CAS
No
Molecular Formula
C11H23Br
Molecular Weight
235.200000
Exact Mass
234.098310
SMILES
CCCCC(CC)CCCCBr
InChI
InChI=1S/C11H23Br/c1-3-5-8-11(4-2)9-6-7-10-12/h11H,3-10H2,1-2H3
InChIKey
JYDYQEXQDWMSEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
8
Molar refractivity
60.95
TPSA
0.0000
LogP / Solubility
WLOGP
4.77
MLOGP
4.2
XLogP3
5.7
Consensus LogP
4.89
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
Class (SILICOS-IT)
Insoluble
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)
-0.77
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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