Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester
TL;DR: Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester (CAS 67497-43-2) is a chemical compound with molecular formula C26H43Cl2NO2 and molecular weight 471.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-chloroethyl)amino]phenyl] hexadecanoate
Also Known As: 4-(Bis(2-chloroethyl)amino)phenyl hexadecanoate, Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester, p-di(2-chloroethyl)aminophenyl palmitate, [4-[bis(2-chloroethyl)amino]phenyl] hexadecanoate, 4-[BIS(2-CHLOROETHYL)AMINO]PHENYL HEXADECANOATE
| Molecular Formula | C26H43Cl2NO2 |
|---|---|
| Molecular Weight | 471.27 g/mol |
| LogP | 8.3573 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 471.2671 |
| Heavy Atoms | 31 |
| Complexity | 544.8429 |
Chemical Identifiers
| CAS Number | 67497-43-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl |
Product Overview
Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester (CAS 67497-43-2), with molecular formula C26H43Cl2NO2 and molecular weight 471.27 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl] hexadecanoate.
Chemical Property Profile of Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester
Property Insights of Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester
The XLogP value of 8.3573 indicates that Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester 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 Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester?
The CAS number of Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester is 67497-43-2.
What is the molecular formula of Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester?
The molecular formula of Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester is C26H43Cl2NO2.
What is the molecular weight of Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester?
The molecular weight of Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester is 471.27 g/mol.
Where can I buy Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester?
You can request a quote for Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanoic acid, 4-(bis(2-chloroethyl)amino)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.