Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro-
TL;DR: Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro- (CAS 106808-67-7) is a chemical compound with molecular formula C15H16BrN3O2 and molecular weight 349.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-bromoanilino)methyl]-N,N-dimethyl-2-nitroaniline
Also Known As: N-(4-Bromophenyl)-3-nitro-4-N,N-dimethylaminobenzylamine, Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro-, N-(4-Bromophenyl)-4-(dimethylamino)-3-nitrobenzenemethanamine, 4-[(4-bromoanilino)methyl]-N,N-dimethyl-2-nitroaniline, RefChem:324814
| Molecular Formula | C15H16BrN3O2 |
|---|---|
| Molecular Weight | 349.04 g/mol |
| LogP | 4.0354 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.0426 |
| Heavy Atoms | 21 |
| Complexity | 641.867 |
Chemical Identifiers
| CAS Number | 106808-67-7 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)CNC2=CC=C(C=C2)Br)[N+](=O)[O-] |
Product Overview
Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro- (CAS 106808-67-7), with molecular formula C15H16BrN3O2 and molecular weight 349.04 g/mol. IUPAC: 4-[(4-bromoanilino)methyl]-N,N-dimethyl-2-nitroaniline.
Chemical Property Profile of Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro-
Property Insights of Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro-
The XLogP value of 4.0354 indicates that Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.41 Ų, Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro- 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 Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro-?
The CAS number of Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro- is 106808-67-7.
What is the molecular formula of Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro-?
The molecular formula of Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro- is C15H16BrN3O2.
What is the molecular weight of Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro-?
The molecular weight of Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro- is 349.04 g/mol.
Where can I buy Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro-?
You can request a quote for Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-(4-bromophenyl)-4-(dimethylamino)-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.