AB00096541-01
TL;DR: AB00096541-01 (CAS 5781-62-4) is a chemical compound with molecular formula C23H22BrN5 and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-bromophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
Also Known As: AB00096541-01, N-[(4-Bromophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)-1H-tetrazol-5-yl]-1-phenylmethanamine, N-[(4-bromophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine, (4-bromobenzyl)methyl[[1-(2-methylphenyl)-1H-tetrazol-5-yl](phenyl)methyl]amine, N-[(4-bromophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-methanamine
| Molecular Formula | C23H22BrN5 |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 4.95462 |
| Topological Polar Surface Area | 46.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.10587 |
| Heavy Atoms | 29 |
| Complexity | 1075.8956 |
Chemical Identifiers
| CAS Number | 5781-62-4 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NN=N2)C(C3=CC=CC=C3)N(C)CC4=CC=C(C=C4)Br |
Product Overview
AB00096541-01 (CAS 5781-62-4), with molecular formula C23H22BrN5 and molecular weight 447.11 g/mol. IUPAC: N-[(4-bromophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine.
Chemical Property Profile of AB00096541-01
Property Insights of AB00096541-01
The XLogP value of 4.95462 indicates that AB00096541-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.84 Ų, AB00096541-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00096541-01 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 AB00096541-01?
The CAS number of AB00096541-01 is 5781-62-4.
What is the molecular formula of AB00096541-01?
The molecular formula of AB00096541-01 is C23H22BrN5.
What is the molecular weight of AB00096541-01?
The molecular weight of AB00096541-01 is 447.11 g/mol.
Where can I buy AB00096541-01?
You can request a quote for AB00096541-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00096541-01?
Yes, KEHONG BIO provides custom synthesis services for AB00096541-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.