methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate
TL;DR: methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate (CAS 346465-02-9) is a chemical compound with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
Also Known As: CBKinase1_002021, CBKinase1_014421, BRD-K02795160-001-01-2, methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate, methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 2.1797 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 896.27655 |
Chemical Identifiers
| CAS Number | 346465-02-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3 |
Product Overview
methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate (CAS 346465-02-9), with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol. IUPAC: methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate.
Chemical Property Profile of methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate
Property Insights of methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate
The XLogP value of 2.1797 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate has 1 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 methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate?
The CAS number of methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate is 346465-02-9.
What is the molecular formula of methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate?
The molecular formula of methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate is C17H15N5O3S.
What is the molecular weight of methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate?
The molecular weight of methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate is 369.09 g/mol.
Where can I buy methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate?
You can request a quote for methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-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-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1H-tetrazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.