CAS RN: 38769-92-5
4-METHOXYBENZYLMAGNESIUM CHLORIDE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250823 | 100ml | In stock | Inquiry |
- Product code: starshine_CAS38769-92-5
- Purity/Analytical Methods: >99.0%
38769-92-5 / magnesium;1-methanidyl-4-methoxybenzene;chloride
Basic Information
CAS
38769-92-5
Multi CAS
Yes
Molecular Formula
C8H9CLMGO
Molecular Weight
180.910000
Exact Mass
180.019234
InChI
InChI=1S/C8H9O.ClH.Mg/c1-7-3-5-8(9-2)6-4-7;;/h3-6H,1H2,2H3;1H;/q-1;;+2/p-1
InChIKey
UDWJEJINASVQGJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
43.21
TPSA
9.23
LogP / Solubility
WLOGP
-1.5
MLOGP
-1.32
XLogP3
-1.5
Consensus LogP
-1.44
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
0.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.29
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)
-4.89
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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