Benzoic acid, p-(bis(2-bromoethyl)amino)-
TL;DR: Benzoic acid, p-(bis(2-bromoethyl)amino)- (CAS 2045-18-3) is a chemical compound with molecular formula C11H13Br2NO2 and molecular weight 348.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-bromoethyl)amino]benzoic acid
Also Known As: p-(Bis(2-bromoethyl)amino)benzoic acid, 4-[bis(2-bromoethyl)amino]benzoic acid, BENZOIC ACID, p-(BIS(2-BROMOETHYL)AMINO)-, 4-[N,N-Bis(2-bromoethyl)amino]benzoic acid, Benzoic acid, p-[bis(2-bromoethyl)amino]-
| Molecular Formula | C11H13Br2NO2 |
|---|---|
| Molecular Weight | 348.93 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.92926 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 2045-18-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N(CCBr)CCBr |
| InChIKey | PDMWTJJWTBLAOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, p-(bis(2-bromoethyl)amino)- (CAS 2045-18-3), with molecular formula C11H13Br2NO2 and molecular weight 348.93 g/mol. IUPAC: 4-[bis(2-bromoethyl)amino]benzoic acid.
Chemical Property Profile of Benzoic acid, p-(bis(2-bromoethyl)amino)-
Property Insights of Benzoic acid, p-(bis(2-bromoethyl)amino)-
The XLogP value of 3.1 indicates that Benzoic acid, p-(bis(2-bromoethyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzoic acid, p-(bis(2-bromoethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-(bis(2-bromoethyl)amino)- has 1 hydrogen bond donor(s) and 3 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 Benzoic acid, p-(bis(2-bromoethyl)amino)-?
The CAS number of Benzoic acid, p-(bis(2-bromoethyl)amino)- is 2045-18-3.
What is the molecular formula of Benzoic acid, p-(bis(2-bromoethyl)amino)-?
The molecular formula of Benzoic acid, p-(bis(2-bromoethyl)amino)- is C11H13Br2NO2.
What is the molecular weight of Benzoic acid, p-(bis(2-bromoethyl)amino)-?
The molecular weight of Benzoic acid, p-(bis(2-bromoethyl)amino)- is 348.93 g/mol.
Where can I buy Benzoic acid, p-(bis(2-bromoethyl)amino)-?
You can request a quote for Benzoic acid, p-(bis(2-bromoethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, p-(bis(2-bromoethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-(bis(2-bromoethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.