Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate
TL;DR: Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate (CAS 351529-40-3) is a chemical compound with molecular formula C26H42Cl2N2O3 and molecular weight 500.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid;N-cyclohexylcyclohexanamine
Also Known As: Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate, Propionic acid, compd. with dicyclohexylamine (1:1), Propanoic acid, 2-(4-(bis(2-chloroethyl)amino)phenoxy)-2-methyl-, compd. with N-cyclohexylcyclohexanamine (1:1), Propionic acid, 2-[p-[bis(2-chloroethyl)amino]phenoxy]-2-met, 2-[4-[Bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid;N-cyclohexylcyclohexanamine
| Molecular Formula | C26H42Cl2N2O3 |
|---|---|
| Molecular Weight | 500.26 g/mol |
| LogP | 6.454 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.25726 |
| Heavy Atoms | 33 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 351529-40-3 |
|---|---|
| SMILES | CC(C)(C(=O)O)OC1=CC=C(C=C1)N(CCCl)CCCl.C1CCC(CC1)NC2CCCCC2 |
| InChIKey | SWGFIAPTKLELBN-UHFFFAOYSA-N |
Product Overview
Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate (CAS 351529-40-3), with molecular formula C26H42Cl2N2O3 and molecular weight 500.26 g/mol. IUPAC: 2-[4-[bis(2-chloroethyl)amino]phenoxy]-2-methylpropanoic acid;N-cyclohexylcyclohexanamine.
Chemical Property Profile of Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate
Property Insights of Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate
The XLogP value of 6.454 indicates that Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate. Following Lipinski's Rule of Five, Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate?
The CAS number of Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate is 351529-40-3.
What is the molecular formula of Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate?
The molecular formula of Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate is C26H42Cl2N2O3.
What is the molecular weight of Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate?
The molecular weight of Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate is 500.26 g/mol.
Where can I buy Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate?
You can request a quote for Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate?
Yes, KEHONG BIO provides custom synthesis services for Dicyclohexylammonium-2-(4-(N,N-bis(2-chloroethyl)amino) phenoxy)-2-methylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.