Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate
TL;DR: Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate (CAS 22953-56-6) is a chemical compound with molecular formula C17H16Cl2FNO2 and molecular weight 355.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-chloroethyl)amino]phenyl] 4-fluorobenzoate
Also Known As: p-(Bis(2-chloroethyl)amino)phenyl p-fluorobenzoate, 4-[bis(2-chloroethyl)amino]phenyl 4-fluorobenzoate, p-(Bis(2-chloroethyl)amino)phenol p-fluorobenzoate, Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate, 4-(Bis(2-Chloroethyl)Amino)-Phenol 4-Fluorobenzoate
| Molecular Formula | C17H16Cl2FNO2 |
|---|---|
| Molecular Weight | 355.05 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 355.0542 |
| Heavy Atoms | 23 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 22953-56-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl)F |
| InChIKey | DFINKRRPZPLYKC-UHFFFAOYSA-N |
Product Overview
Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate (CAS 22953-56-6), with molecular formula C17H16Cl2FNO2 and molecular weight 355.05 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl] 4-fluorobenzoate.
Chemical Property Profile of Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate
Property Insights of Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate
The XLogP value of 4.7 indicates that Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate 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)-, p-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate has 0 hydrogen bond donor(s) and 4 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)-, p-fluorobenzoate?
The CAS number of Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate is 22953-56-6.
What is the molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate?
The molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate is C17H16Cl2FNO2.
What is the molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate?
The molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate is 355.05 g/mol.
Where can I buy Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate?
You can request a quote for Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate 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)-, p-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-chloroethyl)amino)-, p-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.