Phenol, p-(bis(2-chloroethyl)amino)-, benzoate
TL;DR: Phenol, p-(bis(2-chloroethyl)amino)-, benzoate (CAS 1233-89-2) is a chemical compound with molecular formula C17H17Cl2NO2 and molecular weight 337.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-chloroethyl)amino]phenyl] benzoate
Also Known As: Phenol, p-(bis(2-chloroethyl)amino)-, benzoate, p-(Bis(2-chloroethyl)amino)phenol benzoate, p-(Bis(2-chloroethyl)amino)phenyl benzoate, [4-[bis(2-chloroethyl)amino]phenyl] benzoate, 4-13-00-01047 (Beilstein Handbook Reference)
| Molecular Formula | C17H17Cl2NO2 |
|---|---|
| Molecular Weight | 337.06 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.06363 |
| Heavy Atoms | 22 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 1233-89-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | DCKXNKRUGUYEPS-UHFFFAOYSA-N |
Product Overview
Phenol, p-(bis(2-chloroethyl)amino)-, benzoate (CAS 1233-89-2), with molecular formula C17H17Cl2NO2 and molecular weight 337.06 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl] benzoate.
Chemical Property Profile of Phenol, p-(bis(2-chloroethyl)amino)-, benzoate
Property Insights of Phenol, p-(bis(2-chloroethyl)amino)-, benzoate
The XLogP value of 4.9 indicates that Phenol, p-(bis(2-chloroethyl)amino)-, benzoate 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)-, benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-chloroethyl)amino)-, benzoate 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)-, benzoate?
The CAS number of Phenol, p-(bis(2-chloroethyl)amino)-, benzoate is 1233-89-2.
What is the molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, benzoate?
The molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, benzoate is C17H17Cl2NO2.
What is the molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, benzoate?
The molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, benzoate is 337.06 g/mol.
Where can I buy Phenol, p-(bis(2-chloroethyl)amino)-, benzoate?
You can request a quote for Phenol, p-(bis(2-chloroethyl)amino)-, benzoate 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)-, benzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-chloroethyl)amino)-, benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.