![Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate structure](/static/products/6738/6738-42-7.webp)
Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate
TL;DR: Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate (CAS 6738-42-7) is a chemical compound with molecular formula C30H42Cl2N2O6 and molecular weight 596.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethylamino)ethyl 2-[4-[4-[4-[2-[2-(2-chloroethylamino)ethoxy]-2-oxoethoxy]phenyl]hexan-3-yl]phenoxy]acetate
Also Known As: Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate, Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-[hexane-3,4-diylbis(4,1-phenyleneoxy)]diacetate, 2-(2-chloroethylamino)ethyl 2-[4-[4-[4-[2-[2-(2-chloroethylamino)ethoxy]-2-oxoethoxy]phenyl]hexan-3-yl]phenoxy]acetate
| Molecular Formula | C30H42Cl2N2O6 |
|---|---|
| Molecular Weight | 596.24 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 23 |
| Exact Mass | 596.242 |
| Heavy Atoms | 40 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 6738-42-7 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)OCC(=O)OCCNCCCl)C(CC)C2=CC=C(C=C2)OCC(=O)OCCNCCCl |
| InChIKey | RSVUJURGJGGDHM-UHFFFAOYSA-N |
Product Overview
Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate (CAS 6738-42-7), with molecular formula C30H42Cl2N2O6 and molecular weight 596.24 g/mol. IUPAC: 2-(2-chloroethylamino)ethyl 2-[4-[4-[4-[2-[2-(2-chloroethylamino)ethoxy]-2-oxoethoxy]phenyl]hexan-3-yl]phenoxy]acetate.
Chemical Property Profile of Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate
Property Insights of Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate
The XLogP value of 6.0 indicates that Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate. Following Lipinski's Rule of Five, Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate has 2 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 Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate?
The CAS number of Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate is 6738-42-7.
What is the molecular formula of Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate?
The molecular formula of Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate is C30H42Cl2N2O6.
What is the molecular weight of Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate?
The molecular weight of Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate is 596.24 g/mol.
Where can I buy Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate?
You can request a quote for Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate?
Yes, KEHONG BIO provides custom synthesis services for Bis{2-[(2-chloroethyl)amino]ethyl} 2,2'-{hexane-3,4-diylbis[(4,1-phenylene)oxy]}diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.