![N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine structure](/static/products/880/880814-35-7.png)
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine
TL;DR: N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine (CAS 880814-35-7) is a chemical compound with molecular formula C12H16BrN5OS and molecular weight 357.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: AN-465/42833693, N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine, N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine, N-(5-bromo-2-methoxybenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine, (5-Bromo-2-methoxy-benzyl)-[2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-ethyl]-amine
| Molecular Formula | C12H16BrN5OS |
|---|---|
| Molecular Weight | 357.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.02588 |
| Heavy Atoms | 20 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 880814-35-7 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=C(C=CC(=C2)Br)OC |
| InChIKey | MWVFSBOSJAKLQG-UHFFFAOYSA-N |
Product Overview
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine (CAS 880814-35-7), with molecular formula C12H16BrN5OS and molecular weight 357.03 g/mol. IUPAC: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
Chemical Property Profile of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine
Property Insights of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine. Following Lipinski's Rule of Five, N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine has 1 hydrogen bond donor(s) and 6 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-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine?
The CAS number of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine is 880814-35-7.
What is the molecular formula of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine?
The molecular formula of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine is C12H16BrN5OS.
What is the molecular weight of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine?
The molecular weight of N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine is 357.03 g/mol.
Where can I buy N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine?
You can request a quote for N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.