N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
TL;DR: N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride (CAS 1050208-88-2) is a chemical compound with molecular formula C16H18ClN5S and molecular weight 347.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(1-phenyltetrazol-5-yl)sulfanylethanamine;hydrochloride
Also Known As: N-benzyl-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine Hydrochloride, N-benzyl-2-(1-phenyltetrazol-5-yl)sulfanylethanamine hydrochloride, N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
| Molecular Formula | C16H18ClN5S |
|---|---|
| Molecular Weight | 347.10 g/mol |
| LogP | 2.966 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.09714 |
| Heavy Atoms | 23 |
| Complexity | 689.9599 |
Chemical Identifiers
| CAS Number | 1050208-88-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCCSC2=NN=NN2C3=CC=CC=C3.Cl |
Product Overview
N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride (CAS 1050208-88-2), with molecular formula C16H18ClN5S and molecular weight 347.10 g/mol. IUPAC: N-benzyl-2-(1-phenyltetrazol-5-yl)sulfanylethanamine;hydrochloride.
Chemical Property Profile of N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
Property Insights of N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride
The XLogP value of 2.966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride. With a topological polar surface area (TPSA) of 55.63 Ų, N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-((1-phenyl-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-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The CAS number of N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 1050208-88-2.
What is the molecular formula of N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The molecular formula of N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is C16H18ClN5S.
What is the molecular weight of N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
The molecular weight of N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride is 347.10 g/mol.
Where can I buy N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
You can request a quote for N-benzyl-2-((1-phenyl-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-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.