[email protected]
CAS 3565-72-8 embramine molecular structure lightbox
CAS RN: 3565-72-8

embramine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260529 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS3565-72-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3565-72-8 / 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine

Standard CAS: 3565-72-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3565-72-8
Multi CAS
Yes
Molecular Formula
BC18H22ORn
Molecular Weight
348.300000
Exact Mass
347.088480
InChI
InChI=1S/C18H22BrNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3
InChIKey
URSRSKSNFPUKGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
91.54
TPSA
12.47

LogP / Solubility

WLOGP
4.29
MLOGP
3.79
XLogP3
4.2
Consensus LogP
4.09
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us