![Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate structure](/static/products/6329/6329-91-5.webp)
Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate
TL;DR: Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate (CAS 6329-91-5) is a chemical compound with molecular formula C16H26I2NO3P and molecular weight 564.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-diethoxyphosphorylethyl)-N,N-bis(2-iodoethyl)aniline
Also Known As: diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate, diethyl(1-{4-[bis(2-iodoethyl)amino]phenyl}ethyl)phosphonate, 4-(1-diethoxyphosphorylethyl)-N,N-bis(2-iodoethyl)aniline, diethyl (1-(4-(bis(2-iodoethyl)amino)phenyl)ethyl)phosphonate, Phosphonic acid,[1-[4-[bis(2-iodoethyl)amino]phenyl]ethyl]-, diethyl ester (9CI)
| Molecular Formula | C16H26I2NO3P |
|---|---|
| Molecular Weight | 564.97 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 564.974 |
| Heavy Atoms | 23 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 6329-91-5 |
|---|---|
| SMILES | CCOP(=O)(C(C)C1=CC=C(C=C1)N(CCI)CCI)OCC |
| InChIKey | ASPMOJZVPSLGMQ-UHFFFAOYSA-N |
Product Overview
Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate (CAS 6329-91-5), with molecular formula C16H26I2NO3P and molecular weight 564.97 g/mol. IUPAC: 4-(1-diethoxyphosphorylethyl)-N,N-bis(2-iodoethyl)aniline.
Chemical Property Profile of Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate
Property Insights of Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate
The XLogP value of 4.4 indicates that Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate?
The CAS number of Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate is 6329-91-5.
What is the molecular formula of Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate?
The molecular formula of Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate is C16H26I2NO3P.
What is the molecular weight of Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate?
The molecular weight of Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate is 564.97 g/mol.
Where can I buy Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate?
You can request a quote for Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-{4-[bis(2-iodoethyl)amino]phenyl}ethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.