Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate
TL;DR: Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate (CAS 70539-70-7) is a chemical compound with molecular formula C17H16Cl2F5N2O2P and molecular weight 476.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-methylaniline
Also Known As: Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate, N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-methyl-aniline, N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-methylaniline
| Molecular Formula | C17H16Cl2F5N2O2P |
|---|---|
| Molecular Weight | 476.02 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.02466 |
| Heavy Atoms | 29 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 70539-70-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)OC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | SNCBPYCYUUWWEV-UHFFFAOYSA-N |
Product Overview
Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate (CAS 70539-70-7), with molecular formula C17H16Cl2F5N2O2P and molecular weight 476.02 g/mol. IUPAC: N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-methylaniline.
Chemical Property Profile of Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate
Property Insights of Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate
The XLogP value of 5.4 indicates that Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate?
The CAS number of Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate is 70539-70-7.
What is the molecular formula of Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate?
The molecular formula of Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate is C17H16Cl2F5N2O2P.
What is the molecular weight of Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate?
The molecular weight of Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate is 476.02 g/mol.
Where can I buy Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate?
You can request a quote for Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate?
Yes, KEHONG BIO provides custom synthesis services for Pentafluorophenyl N,N-bis(2-chloroethyl)-N'-(4-methylphenyl)phosphorodiamidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.