[email protected]
CAS 4719-04-4 Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine molecular structure lightbox
CAS RN: 4719-04-4

Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine

  • Product code: SSC-154134
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: 500g
  • 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 4719-04-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Hong Kong Inquiry

4719-04-4 / 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol

Standard CAS: 4719-04-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4719-04-4
Multi CAS
Yes
Molecular Formula
C9H21N3O3
Molecular Weight
219.280000
Exact Mass
219.158292
InChI
InChI=1S/C9H21N3O3/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15/h13-15H,1-9H2
InChIKey
HUHGPYXAVBJSJV-UHFFFAOYSA-N

Physical Properties

Physical Description
Hexahydro-1,3,5-tris(hydroxyethyl)-5-triazine is a viscous yellow liquid. (NTP, 1992) Liquid Viscous yellow liquid; [CAMEO] Formulated as liquid concentrates; [Reference #2]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
55.98
TPSA
70.41

LogP / Solubility

WLOGP
-2.24
MLOGP
-1.97
XLogP3
-1.6
Consensus LogP
-1.94
Log S (ESOL)
0.61
Class (ESOL)
Highly soluble
Log S (Ali)
0.26
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.06
Class (SILICOS-IT)
Highly 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)
-5.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us