N-(3,5-dibromo-4-methoxybenzyl)aniline
TL;DR: N-(3,5-dibromo-4-methoxybenzyl)aniline (CAS 754235-31-9) is a chemical compound with molecular formula C14H13Br2NO and molecular weight 368.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,5-dibromo-4-methoxyphenyl)methyl]aniline
Also Known As: N-(3,5-dibromo-4-methoxybenzyl)aniline, 3,5-Dibromo-4-methoxy-N-phenylbenzenemethanamine, N-[(3,5-dibromo-4-methoxyphenyl)methyl]aniline
| Molecular Formula | C14H13Br2NO |
|---|---|
| Molecular Weight | 368.94 g/mol |
| LogP | 4.8323 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.9364 |
| Heavy Atoms | 18 |
| Complexity | 505.56723 |
Chemical Identifiers
| CAS Number | 754235-31-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)CNC2=CC=CC=C2)Br |
Product Overview
N-(3,5-dibromo-4-methoxybenzyl)aniline (CAS 754235-31-9), with molecular formula C14H13Br2NO and molecular weight 368.94 g/mol. IUPAC: N-[(3,5-dibromo-4-methoxyphenyl)methyl]aniline.
Chemical Property Profile of N-(3,5-dibromo-4-methoxybenzyl)aniline
Property Insights of N-(3,5-dibromo-4-methoxybenzyl)aniline
The XLogP value of 4.8323 indicates that N-(3,5-dibromo-4-methoxybenzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, N-(3,5-dibromo-4-methoxybenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,5-dibromo-4-methoxybenzyl)aniline has 1 hydrogen bond donor(s) and 2 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-(3,5-dibromo-4-methoxybenzyl)aniline?
The CAS number of N-(3,5-dibromo-4-methoxybenzyl)aniline is 754235-31-9.
What is the molecular formula of N-(3,5-dibromo-4-methoxybenzyl)aniline?
The molecular formula of N-(3,5-dibromo-4-methoxybenzyl)aniline is C14H13Br2NO.
What is the molecular weight of N-(3,5-dibromo-4-methoxybenzyl)aniline?
The molecular weight of N-(3,5-dibromo-4-methoxybenzyl)aniline is 368.94 g/mol.
Where can I buy N-(3,5-dibromo-4-methoxybenzyl)aniline?
You can request a quote for N-(3,5-dibromo-4-methoxybenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,5-dibromo-4-methoxybenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3,5-dibromo-4-methoxybenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.