Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro-
TL;DR: Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro- (CAS 56537-95-2) is a chemical compound with molecular formula C12H16Br2N2O3 and molecular weight 393.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(2-bromoethyl)-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
Also Known As: N,N-Bis(2-bromoethyl)-2-methoxy-5-nitrobenzylamine, BENZYLAMINE, N,N-BIS(2-BROMOETHYL)-2-METHOXY-5-NITRO-, Bis(2-bromoethyl)aminomethyl-4-methoxynitrobenzene, bis(2-bromoethyl)[(2-methoxy-5-nitrophenyl)methyl]amine, N,N-BIS(2-BROMOETHYL)-2-METHOXY-5-NITROBENZENEMETHANAMINE
| Molecular Formula | C12H16Br2N2O3 |
|---|---|
| Molecular Weight | 393.95 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.9507 |
| Heavy Atoms | 19 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 56537-95-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])CN(CCBr)CCBr |
| InChIKey | NROLUUHJEUCRPI-UHFFFAOYSA-N |
Product Overview
Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro- (CAS 56537-95-2), with molecular formula C12H16Br2N2O3 and molecular weight 393.95 g/mol. IUPAC: 2-bromo-N-(2-bromoethyl)-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine.
Chemical Property Profile of Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro-
Property Insights of Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro-
The XLogP value of 3.1 indicates that Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro- has 0 hydrogen bond donor(s) and 4 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 Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro-?
The CAS number of Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro- is 56537-95-2.
What is the molecular formula of Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro-?
The molecular formula of Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro- is C12H16Br2N2O3.
What is the molecular weight of Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro-?
The molecular weight of Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro- is 393.95 g/mol.
Where can I buy Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro-?
You can request a quote for Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzylamine, N,N-bis(2-bromoethyl)-2-methoxy-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.