N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
TL;DR: N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride (CAS 1049698-68-1) is a chemical compound with molecular formula C13H19Cl2N5O2S and molecular weight 379.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
Also Known As: N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride, N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride
| Molecular Formula | C13H19Cl2N5O2S |
|---|---|
| Molecular Weight | 379.06 g/mol |
| LogP | 2.1844 |
| Topological Polar Surface Area | 74.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.06366 |
| Heavy Atoms | 23 |
| Complexity | 626.40753 |
Chemical Identifiers
| CAS Number | 1049698-68-1 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=CC(=C(C(=C2)Cl)OC)OC.Cl |
Product Overview
N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride (CAS 1049698-68-1), with molecular formula C13H19Cl2N5O2S and molecular weight 379.06 g/mol. IUPAC: N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride.
Chemical Property Profile of N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
Property Insights of N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
The XLogP value of 2.1844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride. The TPSA of 74.09 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride. Following Lipinski's Rule of Five, N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride has 1 hydrogen bond donor(s) and 7 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-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The CAS number of N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 1049698-68-1.
What is the molecular formula of N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The molecular formula of N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is C13H19Cl2N5O2S.
What is the molecular weight of N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The molecular weight of N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 379.06 g/mol.
Where can I buy N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
You can request a quote for N-(3-chloro-4,5-dimethoxybenzyl)-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-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4,5-dimethoxybenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.