Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate
TL;DR: Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate (CAS 22953-45-3) is a chemical compound with molecular formula C23H21Br2NO2 and molecular weight 500.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[bis(2-bromoethyl)amino]phenyl] 4-phenylbenzoate
Also Known As: p-(Bis(2-bromoethyl)amino)phenyl p-phenylbenzoate, p-(Bis(2-bromoethyl)amino)phenol p-phenylbenzoate, Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate, Benzoic acid, p-phenyl-, p-(bis(2-bromoethyl)amino)phenyl ester, 4-[bis(2-bromoethyl)amino]phenyl biphenyl-4-carboxylate
| Molecular Formula | C23H21Br2NO2 |
|---|---|
| Molecular Weight | 500.99 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.99185 |
| Heavy Atoms | 28 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 22953-45-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)N(CCBr)CCBr |
| InChIKey | IUUDHOBDQKMUFS-UHFFFAOYSA-N |
Product Overview
Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate (CAS 22953-45-3), with molecular formula C23H21Br2NO2 and molecular weight 500.99 g/mol. IUPAC: [4-[bis(2-bromoethyl)amino]phenyl] 4-phenylbenzoate.
Chemical Property Profile of Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate
Property Insights of Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate
The XLogP value of 6.6 indicates that Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate 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)-, p-phenylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate 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)-, p-phenylbenzoate?
The CAS number of Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate is 22953-45-3.
What is the molecular formula of Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate?
The molecular formula of Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate is C23H21Br2NO2.
What is the molecular weight of Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate?
The molecular weight of Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate is 500.99 g/mol.
Where can I buy Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate?
You can request a quote for Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate 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)-, p-phenylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, p-(bis(2-bromoethyl)amino)-, p-phenylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.