LK 31
TL;DR: LK 31 (CAS 74037-61-9) is a chemical compound with molecular formula C17H30Cl4N6O6 and molecular weight 554.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-[bis(2-chloroethoxymethyl)amino]-6-[2-chloroethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(2-chloroethoxymethyl)amino]methanol
Also Known As: Hexamethylol-melamin-tetra-aethylenchlor-hydrinaether, Hexamethylol-melamin-tetra-aethylenchlor-hydrinaether [German], Methanol, ((6-bis(2-chloroethoxymethyl)amino)-s-triazine-2,4-diyl)(N,N'-bis(2-chloroethoxymethyldinitrilo))di-, [[6-[Bis amino]-1,3,5-triazine-2,4-diyl]bis[ imino]]dimethanol, [[4-[bis(2-chloroethoxymethyl)amino]-6-[2-chloroethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(2-chloroethoxymethyl)amino]methanol
| Molecular Formula | C17H30Cl4N6O6 |
|---|---|
| Molecular Weight | 554.10 g/mol |
| LogP | 1.042 |
| Topological Polar Surface Area | 125.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Exact Mass | 554.0981 |
| Heavy Atoms | 33 |
| Complexity | 583.1097 |
Chemical Identifiers
| CAS Number | 74037-61-9 |
|---|---|
| SMILES | C(CCl)OCN(CO)C1=NC(=NC(=N1)N(COCCCl)COCCCl)N(CO)COCCCl |
Product Overview
LK 31 (CAS 74037-61-9), with molecular formula C17H30Cl4N6O6 and molecular weight 554.10 g/mol. IUPAC: [[4-[bis(2-chloroethoxymethyl)amino]-6-[2-chloroethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(2-chloroethoxymethyl)amino]methanol.
Chemical Property Profile of LK 31
Property Insights of LK 31
The XLogP value of 1.042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LK 31. The TPSA of 125.77 Ų falls within the moderate polarity range, balancing permeability and solubility for LK 31. Following Lipinski's Rule of Five, LK 31 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of LK 31?
The CAS number of LK 31 is 74037-61-9.
What is the molecular formula of LK 31?
The molecular formula of LK 31 is C17H30Cl4N6O6.
What is the molecular weight of LK 31?
The molecular weight of LK 31 is 554.10 g/mol.
Where can I buy LK 31?
You can request a quote for LK 31 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LK 31?
Yes, KEHONG BIO provides custom synthesis services for LK 31 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.