Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate
TL;DR: Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate (CAS 22953-43-1) is a chemical compound with molecular formula C17H16Br2N2O4 and molecular weight 469.9477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[bis(2-bromoethyl)amino]phenyl] 3-nitrobenzoate
Also Known As: p-(Bis(2-bromoethyl)amino)phenyl m-nitrobenzoate, 4-[bis(2-bromoethyl)amino]phenyl 3-nitrobenzoate, p-(Bis(2-bromoethyl)amino)phenol m-nitrobenzoate, Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate, Benzoic acid, m-nitro-, p-(bis(2-bromoethyl)amino)phenyl ester
Technical Specifications
| Molecular Formula | C17H16Br2N2O4 |
| Molecular Weight | 469.9477 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.94562 Da |
| Heavy Atoms | 25 |
| Complexity | 433.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr |
| InChIKey | RDBVETSHLDWOJK-UHFFFAOYSA-N |
Chemical Property Profile of Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate
Property Insights of Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate
The XLogP value of 4.8 indicates that Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate. Following Lipinski's Rule of Five, Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate?
The CAS number of Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate is 22953-43-1.
What is the molecular formula of Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate?
The molecular formula of Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate is C17H16Br2N2O4.
What is the molecular weight of Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate?
The molecular weight of Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate is 469.9477 g/mol.
Where can I buy Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate?
You can request a quote for Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate 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)-, m-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Phenol, p-(bis(2-bromoethyl)amino)-, m-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.