[email protected]
CAS 3614-30-0 emepronium bromide molecular structure lightbox
CAS RN: 3614-30-0

emepronium bromide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250116 10mg Out of stock Inquiry
  • Product code: starshine_CAS3614-30-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3614-30-0 / 4,4-diphenylbutan-2-yl-ethyl-dimethylazanium bromide

Standard CAS: 3614-30-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3614-30-0
Multi CAS
No
Molecular Formula
BC20H28Rn
Molecular Weight
362.300000
Exact Mass
361.140510
InChI
InChI=1S/C20H28N.BrH/c1-5-21(3,4)17(2)16-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17,20H,5,16H2,1-4H3;1H/q+1;/p-1
InChIKey
UVKFSMBPRQBNCH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
91.46
TPSA
0.0000

LogP / Solubility

WLOGP
1.7
MLOGP
1.51
XLogP3
1.7
Consensus LogP
1.64
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us