CAS RN: 693-25-4
Pentylmagnesium Bromide (18% in Tetrahydrofuran, ca. 1mol/L)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250724 | 100ml / 500ml / 1L | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: ICTP1177
693-25-4 / magnesium;pentane;bromide
Basic Information
CAS
693-25-4
Multi CAS
Yes
Molecular Formula
C5H11BRMG
Molecular Weight
175.350000
Exact Mass
173.989450
InChI
InChI=1S/C5H11.BrH.Mg/c1-3-5-4-2;;/h1,3-5H2,2H3;1H;/q-1;;+2/p-1
InChIKey
XWCQLLDGXBLGMD-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
30.64
TPSA
0.0000
LogP / Solubility
WLOGP
-1.37
MLOGP
-1.21
XLogP3
-1.37
Consensus LogP
-1.32
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
-0.01
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.76
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
1.5
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![CAS 18108-68-4 ANS-Mg (=Magnesium(II) 8-Anilino-1-naphthalenesulfonate) [Hydrophobic fluorescent probe] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a5353-jpgcontextbwfzdgvyfhjvb3r8ndm1ntd8aw1hz2uvanblz3xoyjyvadg5lzg5mjg1mtuwnjm4mzgvqtuzntmuanbnfgi0mzeyztc3ndm0mjg1zdriyjjmmtlmnzu2mzbintg1zjk3nwfhztm0y2e4yza2yjm2nzvhn2nlywnlzgnhztk.jpeg)
