[email protected]
CAS 28947-77-5 Tri-hexadecylAmine molecular structure lightbox
CAS RN: 28947-77-5

Tri-hexadecylAmine

  • Product code: SSC-130993
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 28947-77-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

28947-77-5 / N,N-dihexadecylhexadecan-1-amine

Standard CAS: 28947-77-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28947-77-5
Multi CAS
Yes
Molecular Formula
C48H99N
Molecular Weight
690.300000
Exact Mass
689.777752
InChI
InChI=1S/C48H99N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49(47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3
InChIKey
LYYLWJOKAQADDU-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
49
Fraction Csp3
1
Rotatable bonds
45
H-bond acceptors
1
Molar refractivity
227.38
TPSA
3.24

LogP / Solubility

WLOGP
17.73
MLOGP
15.66
XLogP3
23.5
Consensus LogP
18.96
Log S (ESOL)
-12.32
Class (ESOL)
Insoluble
Log S (Ali)
-18.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.26
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)
5.66

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