CAS RN: 75174-77-5
EMMPBr
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: starshine_CAS75174-77-5
- Purity/Analytical Methods: >99.0%
75174-77-5 / 4-butyl-4-methylmorpholin-4-ium bromide
Basic Information
CAS
75174-77-5
Multi CAS
No
Molecular Formula
BC9H20ORn
Molecular Weight
238.170000
Exact Mass
237.072830
InChI
InChI=1S/C9H20NO.BrH/c1-3-4-5-10(2)6-8-11-9-7-10;/h3-9H2,1-2H3;1H/q+1;/p-1
InChIKey
SGEIRJDUZYOROE-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
46.51
TPSA
9.23
LogP / Solubility
WLOGP
-1.73
MLOGP
-1.52
XLogP3
-1.73
Consensus LogP
-1.66
Log S (ESOL)
-0.03
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
Class (SILICOS-IT)
Very 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)
-5.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
3-(DIMETHYLAMINO)-1-(4-FLUOROPHENYL)-2-PROPEN-1-ONE
- CAS RN: 75175-77-8
- Product Code: SSC-184670
-
(2S,4R)-4-Methoxyproline
- CAS RN: 75176-09-9
- Product Code: starshine_CAS75176-09-9
- Purity/Analytical method: >99.0%
-
-
-
