Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate
TL;DR: Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate (CAS 31386-35-3) is a chemical compound with molecular formula C14H19Cl2NO2 and molecular weight 303.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
Also Known As: Acetic acid, ethyl ester, Benzeneacetic acid, ethyl ester, Ethyl-N,N-di-2-chloroethyl-p-aminophenylacetate, Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate, ethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
| Molecular Formula | C14H19Cl2NO2 |
|---|---|
| Molecular Weight | 303.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 303.07928 |
| Heavy Atoms | 19 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 31386-35-3 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | XTWPHUBWNUSDMY-UHFFFAOYSA-N |
Product Overview
Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate (CAS 31386-35-3), with molecular formula C14H19Cl2NO2 and molecular weight 303.08 g/mol. IUPAC: ethyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate.
Chemical Property Profile of Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate
Property Insights of Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate
The XLogP value of 3.4 indicates that Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate?
The CAS number of Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate is 31386-35-3.
What is the molecular formula of Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate?
The molecular formula of Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate is C14H19Cl2NO2.
What is the molecular weight of Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate?
The molecular weight of Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate is 303.08 g/mol.
Where can I buy Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate?
You can request a quote for Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (p-(bis(2-chloroethyl)amino)phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.