N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
TL;DR: N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine (CAS 774555-89-4) is a chemical compound with molecular formula C11H15N5S and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: AN-465/42767538, N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine, N-benzyl-2-((1-methyl-1H-tetrazol-5-yl)thio)ethan-1-amine, N-benzyl-2-[(1-methyl-1H-tetrazol-5-yl)thio]ethanamine, N-benzyl-N-{2-[(1-methyl-1H-tetraazol-5-yl)thio]ethyl}amine
| Molecular Formula | C11H15N5S |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.092 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.10481 |
| Heavy Atoms | 17 |
| Complexity | 442.13226 |
Chemical Identifiers
| CAS Number | 774555-89-4 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=CC=CC=C2 |
Product Overview
N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine (CAS 774555-89-4), with molecular formula C11H15N5S and molecular weight 249.10 g/mol. IUPAC: N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
Chemical Property Profile of N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Property Insights of N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
The XLogP value of 1.092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine. With a topological polar surface area (TPSA) of 55.63 Ų, N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine 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-methyltetrazol-5-yl)sulfanylethanamine?
The CAS number of N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine is 774555-89-4.
What is the molecular formula of N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The molecular formula of N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine is C11H15N5S.
What is the molecular weight of N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The molecular weight of N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine is 249.10 g/mol.
Where can I buy N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
You can request a quote for N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine 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-methyltetrazol-5-yl)sulfanylethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.