Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester
TL;DR: Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester (CAS 67497-45-4) is a chemical compound with molecular formula C27H45Cl2NO2 and molecular weight 485.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-chloroethyl)amino]phenyl]methyl hexadecanoate
Also Known As: (4-(Bis(2-chloroethyl)amino)phenyl)methyl hexadecanoate, Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester, [4-[bis(2-chloroethyl)amino]phenyl]methyl hexadecanoate, {4-[Bis(2-chloroethyl)amino]phenyl}methyl hexadecanoate, RefChem:347446
| Molecular Formula | C27H45Cl2NO2 |
|---|---|
| Molecular Weight | 485.28 g/mol |
| LogP | 8.4951 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 485.28275 |
| Heavy Atoms | 32 |
| Complexity | 559.2797 |
Chemical Identifiers
| CAS Number | 67497-45-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC1=CC=C(C=C1)N(CCCl)CCCl |
Product Overview
Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester (CAS 67497-45-4), with molecular formula C27H45Cl2NO2 and molecular weight 485.28 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl]methyl hexadecanoate.
Chemical Property Profile of Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester
Property Insights of Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester
The XLogP value of 8.4951 indicates that Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl 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)methyl 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)methyl 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)methyl ester?
The CAS number of Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester is 67497-45-4.
What is the molecular formula of Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester?
The molecular formula of Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester is C27H45Cl2NO2.
What is the molecular weight of Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester?
The molecular weight of Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester is 485.28 g/mol.
Where can I buy Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester?
You can request a quote for Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl 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)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanoic acid, (4-(bis(2-chloroethyl)amino)phenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.