CAS RN: 878-61-5
1-BROMO-3-ETHYLADAMANTANE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250302 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS878-61-5
- Purity/Analytical Methods: >99.0%
878-61-5 / 1-bromo-3-ethyladamantane
Basic Information
CAS
878-61-5
Multi CAS
Yes
Molecular Formula
C12H19BR
Molecular Weight
243.180000
Exact Mass
242.067010
InChI
InChI=1S/C12H19Br/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10H,2-8H2,1H3
InChIKey
QUUCNKWMKRZRGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
59.06
TPSA
0.0000
LogP / Solubility
WLOGP
4.13
MLOGP
3.64
XLogP3
5.1
Consensus LogP
4.29
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.27
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
7
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- CAS RN: 879-08-3
- Product Code: starshine_CAS879-08-3
- Purity/Analytical method: >99.0%
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