CAS RN: 850429-74-2
1-(3-BROMO-4-METHYLPHENYLSULFONYL)MORPHOLINE
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: starshine_CAS850429-74-2
- Purity/Analytical Methods: >99.0%
850429-74-2 / 4-(3-bromo-4-methylphenyl)sulfonylmorpholine
Basic Information
CAS
850429-74-2
Multi CAS
No
Molecular Formula
BC11H14O3RnS
Molecular Weight
320.200000
Exact Mass
318.987780
InChI
InChI=1S/C11H14BrNO3S/c1-9-2-3-10(8-11(9)12)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7H2,1H3
InChIKey
FXPBILMRXHFPLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
68.46
TPSA
46.61
LogP / Solubility
WLOGP
1.78
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.72
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 850444-36-9 (S)-(+)-[(S)-2-Diphenylphosphinoferrocenyl] (N,N-dimethylamino) (2-diphenylphosphinophenyl)methane, min. 97% TANIAPHOS molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(S)-(+)-[(S)-2-Diphenylphosphinoferrocenyl] (N,N-dimethylamino) (2-diphenylphosphinophenyl)methane, min. 97% TANIAPHOS
- CAS RN: 850444-36-9
- Product Code: SSC-192968
-
2,5-didecyloxy-1,4-bis(4-formylphenyl)benzene
- CAS RN: 850446-24-1
- Product Code: starshine_CAS850446-24-1
- Purity/Analytical method: >99.0%
-
-
1H-Isoindol-1-one, 4-aMino-6-fluoro-2,3-dihydro-
- CAS RN: 850462-63-4
- Product Code: SSC-192972
-
-
Benzoic acid,2-(broMoMethyl)-5-fluoro-3-nitro-, Methyl ester
- CAS RN: 850462-65-6
- Product Code: SSC-192974
![CAS 850444-36-9 (S)-(+)-[(S)-2-Diphenylphosphinoferrocenyl] (N,N-dimethylamino) (2-diphenylphosphinophenyl)methane, min. 97% TANIAPHOS molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/850444-36-9.gif)
