Phenol, p-(bis(2-bromoethyl)amino)-, benzoate
TL;DR: Phenol, p-(bis(2-bromoethyl)amino)-, benzoate (CAS 22954-10-5) is a chemical compound with molecular formula C17H17Br2NO2 and molecular weight 424.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-bromoethyl)amino]phenyl] benzoate
Also Known As: [4-(bis phenyl]benzoate|p-(Bis(2-bromoethyl)amino)phenol benzoate|p-(Bis(2-bromoethyl)amino)phenyl benzoate|4-[bis(2-bromoethyl)amino]phenyl benzoate|Phenol, p-(bis(2-bromoethyl)amino)-, benzoate|Benzoic acid, p-(bis(2-bromoethyl)amino)phenyl ester|p-[Bis(2-bromoethyl)amino]phenyl=benzoate|[4-(bis(2-bromoethyl)amino)phenyl] benzoate|[4-[bis(2-bromoethyl)amino]phenyl] benzoate|Phenol, 4-[bis(2-bromoethyl)amino]-, benzoate (ester)|Phenol, p-[bis(2-bromoethyl)amino]-, benzoate (ester)|Benzoesaeure-4-(N,N-bis-(2-brom-ethyl)-amino)-phenylester|Benzoesaeure-4-[N,N-bis-(2-brom-ethyl)-amino]-phenylester|BRN 3064421|RefChem:369414
| Molecular Formula | C17H17Br2NO2 |
|---|---|
| Molecular Weight | 424.96 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.96054 |
| Heavy Atoms | 22 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 22954-10-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr |
| InChIKey | SWPGGPQCAMUQDY-UHFFFAOYSA-N |
Product Overview
Phenol, p-(bis(2-bromoethyl)amino)-, benzoate (CAS 22954-10-5), with molecular formula C17H17Br2NO2 and molecular weight 424.96 g/mol. IUPAC: [4-[bis(2-bromoethyl)amino]phenyl] benzoate.
Chemical Property Profile of Phenol, p-(bis(2-bromoethyl)amino)-, benzoate
Property Insights of Phenol, p-(bis(2-bromoethyl)amino)-, benzoate
The XLogP value of 5.2 indicates that Phenol, p-(bis(2-bromoethyl)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-bromoethyl)amino)-, benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-bromoethyl)amino)-, benzoate 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-bromoethyl)amino)-, benzoate?
The CAS number of Phenol, p-(bis(2-bromoethyl)amino)-, benzoate is 22954-10-5.
What is the molecular formula of Phenol, p-(bis(2-bromoethyl)amino)-, benzoate?
The molecular formula of Phenol, p-(bis(2-bromoethyl)amino)-, benzoate is C17H17Br2NO2.
What is the molecular weight of Phenol, p-(bis(2-bromoethyl)amino)-, benzoate?
The molecular weight of Phenol, p-(bis(2-bromoethyl)amino)-, benzoate is 424.96 g/mol.
Where can I buy Phenol, p-(bis(2-bromoethyl)amino)-, benzoate?
You can request a quote for Phenol, p-(bis(2-bromoethyl)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-bromoethyl)amino)-, benzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-bromoethyl)amino)-, benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.