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N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline
TL;DR: N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline (CAS 5574-86-7) is a chemical compound with molecular formula C14H13BrN2O3 and molecular weight 336.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-bromophenyl)methyl]-2-methoxy-5-nitroaniline
Also Known As: Benzenamine,N-methyl-N,3-dinitro, BAS 01839796, N-[(2-bromophenyl)methyl]-2-methoxy-5-nitroaniline, N-[(2-BROMOPHENYL)METHYL]-2-METHOXY-5-NITRO-ANILINE, N-(2-bromobenzyl)-2-methoxy-5-nitroaniline
| Molecular Formula | C14H13BrN2O3 |
|---|---|
| Molecular Weight | 336.01 g/mol |
| LogP | 3.978 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.01096 |
| Heavy Atoms | 20 |
| Complexity | 631.5661 |
Chemical Identifiers
| CAS Number | 5574-86-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=CC=C2Br |
Product Overview
N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline (CAS 5574-86-7), with molecular formula C14H13BrN2O3 and molecular weight 336.01 g/mol. IUPAC: N-[(2-bromophenyl)methyl]-2-methoxy-5-nitroaniline.
Chemical Property Profile of N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline
Property Insights of N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline
The XLogP value of 3.978 indicates that N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline. Following Lipinski's Rule of Five, N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline has 1 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 N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline?
The CAS number of N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline is 5574-86-7.
What is the molecular formula of N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline?
The molecular formula of N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline is C14H13BrN2O3.
What is the molecular weight of N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline?
The molecular weight of N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline is 336.01 g/mol.
Where can I buy N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline?
You can request a quote for N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-Bromophenyl)methyl]-2-methoxy-5-nitro-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.