![N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine structure](/static/products/7745/774553-13-8.webp)
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine
TL;DR: N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine (CAS 774553-13-8) is a chemical compound with molecular formula C13H15N5S and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine
Also Known As: AN-465/42767220, A3784/0160648, N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine, N-{2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-N-(3-phenyl-2-propynyl)amine, N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3-phenylprop-2-yn-1-amine
| Molecular Formula | C13H15N5S |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.10483 |
| Heavy Atoms | 19 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 774553-13-8 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC#CC2=CC=CC=C2 |
| InChIKey | VXJAYEGPALIBPV-UHFFFAOYSA-N |
Product Overview
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine (CAS 774553-13-8), with molecular formula C13H15N5S and molecular weight 273.10 g/mol. IUPAC: N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine.
Chemical Property Profile of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine
Property Insights of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine. Following Lipinski's Rule of Five, N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine 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-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine?
The CAS number of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine is 774553-13-8.
What is the molecular formula of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine?
The molecular formula of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine is C13H15N5S.
What is the molecular weight of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine?
The molecular weight of N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine is 273.10 g/mol.
Where can I buy N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine?
You can request a quote for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-yn-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.