N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
TL;DR: N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride (CAS 1049698-39-6) is a chemical compound with molecular formula C11H14Cl3N5S and molecular weight 353.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,4-dichlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
Also Known As: N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride, N-[(2,4-dichlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine Hydrochloride, N-[(2,4-dichlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride
| Molecular Formula | C11H14Cl3N5S |
|---|---|
| Molecular Weight | 353.00 g/mol |
| LogP | 2.8206 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.00354 |
| Heavy Atoms | 20 |
| Complexity | 548.6049 |
Chemical Identifiers
| CAS Number | 1049698-39-6 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=C(C=C(C=C2)Cl)Cl.Cl |
Product Overview
N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride (CAS 1049698-39-6), with molecular formula C11H14Cl3N5S and molecular weight 353.00 g/mol. IUPAC: N-[(2,4-dichlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride.
Chemical Property Profile of N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
Property Insights of N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
The XLogP value of 2.8206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride. With a topological polar surface area (TPSA) of 55.63 Ų, N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride has 1 hydrogen bond donor(s) and 5 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-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The CAS number of N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 1049698-39-6.
What is the molecular formula of N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The molecular formula of N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is C11H14Cl3N5S.
What is the molecular weight of N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The molecular weight of N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 353.00 g/mol.
Where can I buy N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
You can request a quote for N-(2,4-dichlorobenzyl)-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-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-dichlorobenzyl)-2-((1-methyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.