A1576/0068626
TL;DR: A1576/0068626 (CAS 350500-01-5) is a chemical compound with molecular formula C21H18BrN3OS and molecular weight 439.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-bromophenyl)methylsulfanyl]-5-(methoxymethyl)-4-naphthalen-1-yl-1,2,4-triazole
Also Known As: A1576/0068626, 3-[(3-bromophenyl)methylsulfanyl]-5-(methoxymethyl)-4-naphthalen-1-yl-1,2,4-triazole, 3-((3-bromobenzyl)thio)-5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole, 3-[(3-bromobenzyl)sulfanyl]-5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole, 3-{[(3-BROMOPHENYL)METHYL]SULFANYL}-5-(METHOXYMETHYL)-4-(NAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOLE
| Molecular Formula | C21H18BrN3OS |
|---|---|
| Molecular Weight | 439.04 g/mol |
| LogP | 5.6217 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 439.0354 |
| Heavy Atoms | 27 |
| Complexity | 1074.6655 |
Chemical Identifiers
| CAS Number | 350500-01-5 |
|---|---|
| SMILES | COCC1=NN=C(N1C2=CC=CC3=CC=CC=C32)SCC4=CC(=CC=C4)Br |
Product Overview
A1576/0068626 (CAS 350500-01-5), with molecular formula C21H18BrN3OS and molecular weight 439.04 g/mol. IUPAC: 3-[(3-bromophenyl)methylsulfanyl]-5-(methoxymethyl)-4-naphthalen-1-yl-1,2,4-triazole.
Chemical Property Profile of A1576/0068626
Property Insights of A1576/0068626
The XLogP value of 5.6217 indicates that A1576/0068626 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, A1576/0068626 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A1576/0068626 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A1576/0068626?
The CAS number of A1576/0068626 is 350500-01-5.
What is the molecular formula of A1576/0068626?
The molecular formula of A1576/0068626 is C21H18BrN3OS.
What is the molecular weight of A1576/0068626?
The molecular weight of A1576/0068626 is 439.04 g/mol.
Where can I buy A1576/0068626?
You can request a quote for A1576/0068626 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1576/0068626?
Yes, KEHONG BIO provides custom synthesis services for A1576/0068626 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.