N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine
TL;DR: N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine (CAS 894855-89-1) is a chemical compound with molecular formula C9H11N5S and molecular weight 221.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine
Also Known As: N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine, 1-allyl-N-(3-thienylmethyl)-1H-tetrazol-5-amine, 1-prop-2-enyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine, AN-465/43411445, 1-(prop-2-en-1-yl)-N-(thiophen-3-ylmethyl)-1H-tetrazol-5-amine
| Molecular Formula | C9H11N5S |
|---|---|
| Molecular Weight | 221.07 g/mol |
| LogP | 1.5327 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.07352 |
| Heavy Atoms | 15 |
| Complexity | 419.4044 |
Chemical Identifiers
| CAS Number | 894855-89-1 |
|---|---|
| SMILES | C=CCN1C(=NN=N1)NCC2=CSC=C2 |
Product Overview
N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine (CAS 894855-89-1), with molecular formula C9H11N5S and molecular weight 221.07 g/mol. IUPAC: 1-prop-2-enyl-N-(thiophen-3-ylmethyl)tetrazol-5-amine.
Chemical Property Profile of N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine
Property Insights of N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine
The XLogP value of 1.5327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine. With a topological polar surface area (TPSA) of 55.63 Ų, N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)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-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine?
The CAS number of N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine is 894855-89-1.
What is the molecular formula of N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine?
The molecular formula of N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine is C9H11N5S.
What is the molecular weight of N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine?
The molecular weight of N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine is 221.07 g/mol.
Where can I buy N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine?
You can request a quote for N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N-(1-allyl-1H-tetraazol-5-yl)-N-(3-thienylmethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.