![N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine structure](/static/products/880/880808-91-3.png)
N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine
TL;DR: N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine (CAS 880808-91-3) is a chemical compound with molecular formula C11H13Cl2N5S and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,3-dichlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
Also Known As: ASN 12417881, AN-465/42889310, N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine, (2,3-Dichloro-benzyl)-[2-(1-methyl-1H-tetrazol-5-ylsulfanyl)-ethyl]-amine, N-[(2,3-dichlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
| Molecular Formula | C11H13Cl2N5S |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 2.3988 |
| Topological Polar Surface Area | 55.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.0269 |
| Heavy Atoms | 19 |
| Complexity | 545.63184 |
Chemical Identifiers
| CAS Number | 880808-91-3 |
|---|---|
| SMILES | CN1C(=NN=N1)SCCNCC2=C(C(=CC=C2)Cl)Cl |
Product Overview
N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine (CAS 880808-91-3), with molecular formula C11H13Cl2N5S and molecular weight 317.03 g/mol. IUPAC: N-[(2,3-dichlorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
Chemical Property Profile of N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine
Property Insights of N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine
The XLogP value of 2.3988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine. With a topological polar surface area (TPSA) of 55.63 Ų, N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine 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-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine?
The CAS number of N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine is 880808-91-3.
What is the molecular formula of N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine?
The molecular formula of N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine is C11H13Cl2N5S.
What is the molecular weight of N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine?
The molecular weight of N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine is 317.03 g/mol.
Where can I buy N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine?
You can request a quote for N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dichlorobenzyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.