[email protected]
CAS 192937-53-4 Benzenamine, 4-bromo-N,N-ditetradecyl- molecular structure lightbox
CAS RN: 192937-53-4

Benzenamine, 4-bromo-N,N-ditetradecyl-

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250521 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS192937-53-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

192937-53-4 / 4-bromo-N,N-di(tetradecyl)aniline

Standard CAS: 192937-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
192937-53-4
Multi CAS
No
Molecular Formula
C34H62BrN
Molecular Weight
564.800000
Exact Mass
563.406560
SMILES
CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C1=CC=C(C=C1)Br
InChI
InChI=1S/C34H62BrN/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-36(34-29-27-33(35)28-30-34)32-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-30H,3-26,31-32H2,1-2H3
InChIKey
AQLRLHNYWAVVDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.82
Rotatable bonds
27
H-bond acceptors
1
Molar refractivity
168.51
TPSA
3.24

LogP / Solubility

WLOGP
12.66
MLOGP
11.18
XLogP3
16.1
Consensus LogP
13.31
Log S (ESOL)
-9.66
Class (ESOL)
Insoluble
Log S (Ali)
-13.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.82

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us