N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
TL;DR: N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride (CAS 1049697-23-5) is a chemical compound with molecular formula C12H17BrClN5OS and molecular weight 393.00 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;hydrochloride
Also Known As: N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride, N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride
| Molecular Formula | C12H17BrClN5OS |
|---|---|
| Molecular Weight | 393.00 g/mol |
| LogP | 2.2849 |
| Topological Polar Surface Area | 64.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.00256 |
| Heavy Atoms | 21 |
| Complexity | 568.3309 |
Chemical Identifiers
| CAS Number | 1049697-23-5 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=C(C=CC(=C2)Br)OC.Cl |
Product Overview
N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride (CAS 1049697-23-5), with molecular formula C12H17BrClN5OS and molecular weight 393.00 g/mol. IUPAC: N-[(5-bromo-2-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride.
Chemical Property Profile of N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
Property Insights of N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
The XLogP value of 2.2849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride. The TPSA of 64.86 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride. Following Lipinski's Rule of Five, N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride 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-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The CAS number of N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 1049697-23-5.
What is the molecular formula of N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The molecular formula of N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is C12H17BrClN5OS.
What is the molecular weight of N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The molecular weight of N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 393.00 g/mol.
Where can I buy N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
You can request a quote for N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride 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-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(5-bromo-2-methoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.