Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate
TL;DR: Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate (CAS 22953-52-2) is a chemical compound with molecular formula C17H16BrCl2NO2 and molecular weight 414.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-chloroethyl)amino]phenyl] 3-bromobenzoate
Also Known As: p-(Bis(2-chloroethyl)amino)phenyl m-bromobenzoate, p-(Bis(2-chloroethyl)amino)phenol m-bromobenzoate, 4-[bis(2-chloroethyl)amino]phenyl 3-bromobenzoate, Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate, [4-[bis(2-chloroethyl)amino]phenyl] 3-bromobenzoate
| Molecular Formula | C17H16BrCl2NO2 |
|---|---|
| Molecular Weight | 414.97 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.97415 |
| Heavy Atoms | 23 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 22953-52-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)OC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | SUZZKNCPUCQBBP-UHFFFAOYSA-N |
Product Overview
Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate (CAS 22953-52-2), with molecular formula C17H16BrCl2NO2 and molecular weight 414.97 g/mol. IUPAC: [4-[bis(2-chloroethyl)amino]phenyl] 3-bromobenzoate.
Chemical Property Profile of Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate
Property Insights of Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate
The XLogP value of 5.3 indicates that Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate 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)-, m-bromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate 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)-, m-bromobenzoate?
The CAS number of Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate is 22953-52-2.
What is the molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate?
The molecular formula of Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate is C17H16BrCl2NO2.
What is the molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate?
The molecular weight of Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate is 414.97 g/mol.
Where can I buy Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate?
You can request a quote for Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate 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)-, m-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-chloroethyl)amino)-, m-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.