4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate
TL;DR: 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate (CAS 22953-44-2) is a chemical compound with molecular formula C17H16Br2N2O4 and molecular weight 469.95 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-nitrobenzoate
Also Known As: 4-[bis(2-bromoethyl)amino]phenyl 4-nitrobenzoate, p-(Bis(2-bromoethyl)amino)phenyl p-nitrobenzoate, p-(Bis(2-bromoethyl)amino)phenol p-nitrobenzoate, Phenol, p-(bis(2-bromoethyl)amino)-, p-nitrobenzoate, 4-(Bis(2-bromoethyl)amino)phenyl 4-nitrobenzoate
| Molecular Formula | C17H16Br2N2O4 |
|---|---|
| Molecular Weight | 469.95 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.94562 |
| Heavy Atoms | 25 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 22953-44-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr)[N+](=O)[O-] |
| InChIKey | SDAIMQSEPQFQJY-UHFFFAOYSA-N |
Product Overview
4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate (CAS 22953-44-2), with molecular formula C17H16Br2N2O4 and molecular weight 469.95 g/mol. IUPAC: [4-[bis(2-bromoethyl)amino]phenyl] 4-nitrobenzoate.
Chemical Property Profile of 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate
Property Insights of 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate
The XLogP value of 4.8 indicates that 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-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 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate. Following Lipinski's Rule of Five, 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-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
Frequently Asked Questions
What is the CAS number of 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate?
The CAS number of 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate is 22953-44-2.
What is the molecular formula of 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate?
The molecular formula of 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate is C17H16Br2N2O4.
What is the molecular weight of 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate?
The molecular weight of 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate is 469.95 g/mol.
Where can I buy 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate?
You can request a quote for 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bis(2-Bromoethyl)Amino)Phenyl 4-Nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.