5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole
TL;DR: 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole (CAS 332129-78-9) is a chemical compound with molecular formula C19H15N5O3S and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole
Also Known As: BAS 01172106, 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole, A0893/0041916, 5-[(4-methoxy-3-nitrobenzyl)sulfanyl]-1-(naphthalen-1-yl)-1H-tetrazole, 5-((4-methoxy-3-nitrobenzyl)thio)-1-(naphthalen-1-yl)-1H-tetrazole
| Molecular Formula | C19H15N5O3S |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.08957 |
| Heavy Atoms | 28 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 332129-78-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=NN=NN2C3=CC=CC4=CC=CC=C43)[N+](=O)[O-] |
| InChIKey | USGNYRHBEHSNJD-UHFFFAOYSA-N |
Product Overview
5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole (CAS 332129-78-9), with molecular formula C19H15N5O3S and molecular weight 393.09 g/mol. IUPAC: 5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-1-naphthalen-1-yltetrazole.
Chemical Property Profile of 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole
Property Insights of 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole
The XLogP value of 4.6 indicates that 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole. Following Lipinski's Rule of Five, 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole has 0 hydrogen bond donor(s) and 7 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 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole?
The CAS number of 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole is 332129-78-9.
What is the molecular formula of 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole?
The molecular formula of 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole is C19H15N5O3S.
What is the molecular weight of 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole?
The molecular weight of 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole is 393.09 g/mol.
Where can I buy 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole?
You can request a quote for 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Methoxy-3-nitro-benzylsulfanyl)-1-naphthalen-1-yl-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.