Phenol, p-(bis(2-chloroethyl)amino)-, stearate
TL;DR: Phenol, p-(bis(2-chloroethyl)amino)-, stearate (CAS 67497-44-3) is a chemical compound with molecular formula C28H47Cl2NO2 and molecular weight 499.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-chloroethyl)amino]phenyl] octadecanoate
Also Known As: Phenol, p-(bis(2-chloroethyl)amino)-, stearate, p-di(2-chloroethyl)aminophenyl stearate, Stearic acid, p-(bis(2-chloroethyl)amino)phenyl ester, 4-[bis(2-chloroethyl)amino]phenyl octadecanoate, [4-[bis(2-chloroethyl)amino]phenyl] octadecanoate
| Molecular Formula | C28H47Cl2NO2 |
|---|---|
| Molecular Weight | 499.30 g/mol |
| LogP | 9.1375 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Exact Mass | 499.29837 |
| Heavy Atoms | 33 |
| Complexity | 573.765 |
Chemical Identifiers
| CAS Number | 67497-44-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl |
Product Overview
Phenol, p-(bis(2-chloroethyl)amino)-, stearate (CAS 67497-44-3), with molecular formula C28H47Cl2NO2 and molecular weight 499.30 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl] octadecanoate.
Chemical Property Profile of Phenol, p-(bis(2-chloroethyl)amino)-, stearate
Property Insights of Phenol, p-(bis(2-chloroethyl)amino)-, stearate
The XLogP value of 9.1375 indicates that Phenol, p-(bis(2-chloroethyl)amino)-, stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Phenol, p-(bis(2-chloroethyl)amino)-, stearate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-chloroethyl)amino)-, stearate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenol, p-(bis(2-chloroethyl)amino)-, stearate?
The CAS number of Phenol, p-(bis(2-chloroethyl)amino)-, stearate is 67497-44-3.
What is the molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, stearate?
The molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, stearate is C28H47Cl2NO2.
What is the molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, stearate?
The molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, stearate is 499.30 g/mol.
Where can I buy Phenol, p-(bis(2-chloroethyl)amino)-, stearate?
You can request a quote for Phenol, p-(bis(2-chloroethyl)amino)-, stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, p-(bis(2-chloroethyl)amino)-, stearate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-chloroethyl)amino)-, stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.