Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester)
TL;DR: Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester) (CAS 83626-91-9) is a chemical compound with molecular formula C18H27Cl2NO2 and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-chloroethyl)amino]phenyl] octanoate
Also Known As: p-(Bis(2-chloroethyl)amino)phenol octanoate, [4-[bis amino]phenyl]octanoate, Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester), [4-[bis(2-chloroethyl)amino]phenyl] octanoate, 4-[BIS(2-CHLOROETHYL)AMINO]PHENYL OCTANOATE
| Molecular Formula | C18H27Cl2NO2 |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 5.2365 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 359.14188 |
| Heavy Atoms | 23 |
| Complexity | 431.15265 |
Chemical Identifiers
| CAS Number | 83626-91-9 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl |
Product Overview
Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester) (CAS 83626-91-9), with molecular formula C18H27Cl2NO2 and molecular weight 359.14 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl] octanoate.
Chemical Property Profile of Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester)
Property Insights of Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester)
The XLogP value of 5.2365 indicates that Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (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, Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (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 Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester)?
The CAS number of Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester) is 83626-91-9.
What is the molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester)?
The molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester) is C18H27Cl2NO2.
What is the molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester)?
The molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester) is 359.14 g/mol.
Where can I buy Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester)?
You can request a quote for Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester) 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)-, octanoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-chloroethyl)amino)-, octanoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.