![N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine structure](/static/products/880/880069-48-7.png)
N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
TL;DR: N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine (CAS 880069-48-7) is a chemical compound with molecular formula C11H13ClFN5S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: BAS 12416923, AN-465/42767273, (2-Chloro-6-fluoro-benzyl)-[2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-ethyl]-amine, N-(2-chloro-6-fluorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine, N-(2-chloro-6-fluorobenzyl)-N-{2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]ethyl}amine
| Molecular Formula | C11H13ClFN5S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 1.8845 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.05643 |
| Heavy Atoms | 19 |
| Complexity | 527.38184 |
Chemical Identifiers
| CAS Number | 880069-48-7 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=C(C=CC=C2Cl)F |
Product Overview
N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine (CAS 880069-48-7), with molecular formula C11H13ClFN5S and molecular weight 301.06 g/mol. IUPAC: N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
Chemical Property Profile of N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Property Insights of N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
The XLogP value of 1.8845 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine. With a topological polar surface area (TPSA) of 55.63 Ų, N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(2-chloro-6-fluorophenyl)methyl]-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-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The CAS number of N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine is 880069-48-7.
What is the molecular formula of N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The molecular formula of N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine is C11H13ClFN5S.
What is the molecular weight of N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The molecular weight of N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine is 301.06 g/mol.
Where can I buy N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
You can request a quote for N-[(2-chloro-6-fluorophenyl)methyl]-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-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-chloro-6-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.