Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate
TL;DR: Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate (CAS 22954-16-1) is a chemical compound with molecular formula C18H19Br2NO2 and molecular weight 438.97824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[bis(2-bromoethyl)amino]phenyl] 4-methylbenzoate
Also Known As: [4-(bis phenyl]4-methylbenzoate|p-(Bis(2-bromoethyl)amino)phenyl p-methylbenzoate|p-(Bis(2-bromoethyl)amino)phenol p-methylbenzoate|4-[bis(2-bromoethyl)amino]phenyl 4-methylbenzoate|Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate|Benzoic acid, p-methyl-, p-(bis(2-bromoethyl)amino)phenyl ester|p-[Bis(2-bromoethyl)amino]phenyl=p-methylbenzoate|[4-(bis(2-bromoethyl)amino)phenyl] 4-methylbenzoate|[4-[bis(2-bromoethyl)amino]phenyl] 4-methylbenzoate|p-Toluic acid, p-[bis(2-bromoethyl)amino]phenyl ester|4-Methyl-benzoic acid 4-[bis-(2-bromo-ethyl)-amino]-phenyl ester|4-Methylbenzoesaeure-4-(N,N-bis-(2-bromethyl)-amino)-phenylester|Benzoic acid, 4-methyl-, 4-[bis(2-bromoethyl)amino]phenyl ester|BRN 3066989|CHEMBL3246937
Technical Specifications
| Molecular Formula | C18H19Br2NO2 |
| Molecular Weight | 438.97824 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 440.9762 Da |
| Heavy Atoms | 23 |
| Complexity | 345.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr |
| InChIKey | HETTWOPRDUZXMX-UHFFFAOYSA-N |
Chemical Property Profile of Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate
Property Insights of Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate
The XLogP value of 5.3 indicates that Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate 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-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate?
The CAS number of Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate is 22954-16-1.
What is the molecular formula of Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate?
The molecular formula of Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate is C18H19Br2NO2.
What is the molecular weight of Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate?
The molecular weight of Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate is 438.97824 g/mol.
Where can I buy Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate?
You can request a quote for Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate?
Yes, CoreyChem provides custom synthesis services for Phenol, p-(bis(2-bromoethyl)amino)-, p-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.