![Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate structure](/static/products/3464/346464-92-4.webp)
Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
TL;DR: Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate (CAS 346464-92-4) is a chemical compound with molecular formula C17H15N5O5S and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
Also Known As: methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate, methyl 4-(5-((4-methoxy-3-nitrobenzyl)thio)-1H-tetrazol-1-yl)benzoate, methyl 4-{5-[(4-methoxy-3-nitrobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzoate, Methyl 4-[5-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]tetrazol-1-yl]benzoate, methyl 4-{5-[(4-methoxy-3-nitrophenyl)methylthio]-1,2,3,4-tetraazolyl}benzoate
| Molecular Formula | C17H15N5O5S |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 2.658 |
| Topological Polar Surface Area | 122.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.07938 |
| Heavy Atoms | 28 |
| Complexity | 1005.4276 |
Chemical Identifiers
| CAS Number | 346464-92-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=NN=NN2C3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate (CAS 346464-92-4), with molecular formula C17H15N5O5S and molecular weight 401.08 g/mol. IUPAC: methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate.
Chemical Property Profile of Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
Property Insights of Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
The XLogP value of 2.658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate. The TPSA of 122.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate has 0 hydrogen bond donor(s) and 9 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 Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
The CAS number of Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate is 346464-92-4.
What is the molecular formula of Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
The molecular formula of Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate is C17H15N5O5S.
What is the molecular weight of Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
The molecular weight of Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate is 401.08 g/mol.
Where can I buy Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
You can request a quote for Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[5-[(4-methoxy-3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.