phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate structure](/static/products/1777/17773-95-4.webp)
3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate
TL;DR: 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate (CAS 17773-95-4) is a chemical compound with molecular formula C45H80Cl2NO7P and molecular weight 847.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Also Known As: 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate, [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-hexadeca, Hexadecanoic acid,1-[[[[bis(2-chloroethyl)amino]phenoxyphosphinyl]oxy]methyl]-1,2-ethanediylester (9CI), [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
| Molecular Formula | C45H80Cl2NO7P |
|---|---|
| Molecular Weight | 847.50 g/mol |
| LogP | 17.2 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 43 |
| Exact Mass | 847.50494 |
| Heavy Atoms | 56 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 17773-95-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | GNAKLUQNTHYFEP-UHFFFAOYSA-N |
Product Overview
3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate (CAS 17773-95-4), with molecular formula C45H80Cl2NO7P and molecular weight 847.50 g/mol. IUPAC: [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate.
Chemical Property Profile of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate
Property Insights of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate
The XLogP value of 17.2 indicates that 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate. Following Lipinski's Rule of Five, 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate?
The CAS number of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate is 17773-95-4.
What is the molecular formula of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate?
The molecular formula of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate is C45H80Cl2NO7P.
What is the molecular weight of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate?
The molecular weight of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate is 847.50 g/mol.
Where can I buy 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate?
You can request a quote for 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(hexadecanoyloxy)propyl hexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.