![Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate structure](/static/products/3464/346464-93-5.webp)
Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
TL;DR: Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate (CAS 346464-93-5) is a chemical compound with molecular formula C16H13N5O4S and molecular weight 371.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
Also Known As: methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate, methyl 4-(5-((3-nitrobenzyl)thio)-1H-tetrazol-1-yl)benzoate, methyl 4-{5-[(3-nitrobenzyl)sulfanyl]-1H-tetrazol-1-yl}benzoate
| Molecular Formula | C16H13N5O4S |
|---|---|
| Molecular Weight | 371.07 g/mol |
| LogP | 2.6494 |
| Topological Polar Surface Area | 113.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.06882 |
| Heavy Atoms | 26 |
| Complexity | 941.823 |
Chemical Identifiers
| CAS Number | 346464-93-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate (CAS 346464-93-5), with molecular formula C16H13N5O4S and molecular weight 371.07 g/mol. IUPAC: methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate.
Chemical Property Profile of Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
Property Insights of Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate
The XLogP value of 2.6494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate. The TPSA of 113.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate has 0 hydrogen bond donor(s) and 8 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-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
The CAS number of Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate is 346464-93-5.
What is the molecular formula of Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
The molecular formula of Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate is C16H13N5O4S.
What is the molecular weight of Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
The molecular weight of Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate is 371.07 g/mol.
Where can I buy Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
You can request a quote for Methyl 4-[5-[(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-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[5-[(3-nitrophenyl)methylsulfanyl]tetrazol-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.