CAS RN: 78887-70-4
Pentadecylmagnesium Bromide (ca. 15% in Tetrahydrofuran, ca. 0.4mol/L)
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.20250714 | 100mL | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTP1251
78887-70-4 / magnesium;pentadecane;bromide
Basic Information
CAS
78887-70-4
Multi CAS
Yes
Molecular Formula
C15H31BRMG
Molecular Weight
315.620000
Exact Mass
314.145960
InChI
InChI=1S/C15H31.BrH.Mg/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;/h1,3-15H2,2H3;1H;/q-1;;+2/p-1
InChIKey
FAXYNDJJWMSBJG-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
76.81
TPSA
0.0000
LogP / Solubility
WLOGP
2.53
MLOGP
2.24
XLogP3
2.53
Consensus LogP
2.43
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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