Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester)
TL;DR: Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester) (CAS 1448-93-7) is a chemical compound with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-chloroethyl)amino]phenyl] acetate
Also Known As: 4-[bis(2-chloroethyl)amino]phenyl acetate, [4-[bis(2-chloroethyl)amino]phenyl] acetate, p-bis(2-chloroethyl)aminophenyl acetate, p-N,N-Bis(2-chloroethyl)aminophenol acetate ester, Acetic acid 4-[bis(2-chloroethyl)amino]phenyl ester
| Molecular Formula | C12H15Cl2NO2 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.04797 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 1448-93-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | VULHMSUXUOLBEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester) (CAS 1448-93-7), with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl] acetate.
Chemical Property Profile of Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester)
Property Insights of Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester)
The XLogP value of 3.0 indicates that Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester) 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 Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester)?
The CAS number of Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester) is 1448-93-7.
What is the molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester)?
The molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester) is C12H15Cl2NO2.
What is the molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester)?
The molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester) is 275.05 g/mol.
Where can I buy Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester)?
You can request a quote for Phenol, p-(bis(2-chloroethyl)amino)-, acetate (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)-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-chloroethyl)amino)-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.