CAS RN: 328000-16-4
2-BENZYLOXYPHENYLMAGNESIUM BROMIDE, 1M &
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS328000-16-4
- Purity/Analytical Methods: >99.0%
328000-16-4 / magnesium;phenylmethoxybenzene;bromide
Basic Information
CAS
328000-16-4
Multi CAS
Yes
Molecular Formula
C13H11BRMGO
Molecular Weight
287.430000
Exact Mass
285.984370
InChI
InChI=1S/C13H11O.BrH.Mg/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;;/h1-9H,11H2;1H;/q-1;;+2/p-1
InChIKey
WHVIUIJRSBHYEZ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
61.81
TPSA
9.23
LogP / Solubility
WLOGP
-0.31
MLOGP
-0.26
XLogP3
-0.31
Consensus LogP
-0.29
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-4.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
(E)-tert-butyl 2-(pyridin-2-ylmethylene)hydrazinecarboxylate
- CAS RN: 328011-57-0
- Product Code: SSC-138509
-
1-cinnamoyl-1H-1,2,3-benzotriazole
- CAS RN: 328012-09-5
- Product Code: starshine_CAS328012-09-5
- Purity/Analytical method: >99.0%
-
3-(2-CHLORO-PHENYL)-7-HYDROXY-2-METHYL-CHROMEN-4-ONE
- CAS RN: 328019-68-7
- Product Code: SSC-138510
-
-
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-methylphenoxy)acetamide
- CAS RN: 328027-12-9
- Product Code: starshine_CAS328027-12-9
- Purity/Analytical method: >99.0%
-
4-(4-CHLORO-3-NITRO-BENZENESULFONYLAMINO)-2-HYDROXY-BENZOIC ACID
- CAS RN: 328028-09-7
- Product Code: SSC-138512
.gif)
![CAS 328027-12-9 N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-(2-methylphenoxy)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/328027-12-9.gif)
.gif)