phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate structure](/static/products/3589/35899-54-8.webp)
3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate
TL;DR: 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate (CAS 35899-54-8) is a chemical compound with molecular formula C31H52Cl2NO7P and molecular weight 651.29 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-nonanoyloxypropyl] nonanoate
Also Known As: 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate, [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-nonanoyl, [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-nonanoyloxypropyl] nonanoate, Nonanoic acid,1-[[[[bis(2-chloroethyl)amino]phenoxyphosphinyl]oxy]methyl]-1,2-ethanediylester (9CI)
| Molecular Formula | C31H52Cl2NO7P |
|---|---|
| Molecular Weight | 651.29 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 29 |
| Exact Mass | 651.2858 |
| Heavy Atoms | 42 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 35899-54-8 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(COP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)OC(=O)CCCCCCCC |
| InChIKey | ZCQRAHOCIBGXEB-UHFFFAOYSA-N |
Product Overview
3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate (CAS 35899-54-8), with molecular formula C31H52Cl2NO7P and molecular weight 651.29 g/mol. IUPAC: [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-nonanoyloxypropyl] nonanoate.
Chemical Property Profile of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate
Property Insights of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate
The XLogP value of 9.6 indicates that 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate 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-(nonanoyloxy)propyl nonanoate. Following Lipinski's Rule of Five, 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate 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-(nonanoyloxy)propyl nonanoate?
The CAS number of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate is 35899-54-8.
What is the molecular formula of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate?
The molecular formula of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate is C31H52Cl2NO7P.
What is the molecular weight of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate?
The molecular weight of 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate is 651.29 g/mol.
Where can I buy 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate?
You can request a quote for 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate 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-(nonanoyloxy)propyl nonanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-({[bis(2-chloroethyl)amino](phenoxy)phosphoryl}oxy)-2-(nonanoyloxy)propyl nonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.