CAS RN: 53596-82-0
9-broMo-1-nonanol acetate
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.20260202 | 5g / 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS53596-82-0
- Purity/Analytical Methods: >99.0%
53596-82-0 / 9-bromononyl acetate
Basic Information
CAS
53596-82-0
Multi CAS
Yes
Molecular Formula
C11H21BRO2
Molecular Weight
265.190000
Exact Mass
264.072490
InChI
InChI=1S/C11H21BrO2/c1-11(13)14-10-8-6-4-2-3-5-7-9-12/h2-10H2,1H3
InChIKey
ZLUALHMNABZRAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
62.75
TPSA
26.3
LogP / Solubility
WLOGP
3.68
MLOGP
3.24
XLogP3
3.9
Consensus LogP
3.61
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
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)
-1.73
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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