(1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate
TL;DR: (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate (CAS 577763-04-3) is a chemical compound with molecular formula C22H18N6OS and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate
Also Known As: (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate, (1E)-2-keto-2-phenyl-N-(p-toluidino)thioacetimidic acid (1-phenyltetrazol-5-yl) ester, (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioic acid (1-phenyl-5-tetrazolyl) ester, (E)-1-phenyl-1H-tetrazol-5-yl 2-oxo-2-phenyl-N'-(p-tolyl)ethanehydrazonothioate, 1-phenyl-1H-tetrazol-5-yl (1E)-N-(4-methylphenyl)-2-oxo-2-phenylethanehydrazonothioate
| Molecular Formula | C22H18N6OS |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 4.37132 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.12628 |
| Heavy Atoms | 30 |
| Complexity | 1157.234 |
Chemical Identifiers
| CAS Number | 577763-04-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/N=C(\C(=O)C2=CC=CC=C2)/SC3=NN=NN3C4=CC=CC=C4 |
Product Overview
(1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate (CAS 577763-04-3), with molecular formula C22H18N6OS and molecular weight 414.13 g/mol. IUPAC: (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate.
Chemical Property Profile of (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate
Property Insights of (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate
The XLogP value of 4.37132 indicates that (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate. Following Lipinski's Rule of Five, (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate 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 (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate?
The CAS number of (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate is 577763-04-3.
What is the molecular formula of (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate?
The molecular formula of (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate is C22H18N6OS.
What is the molecular weight of (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate?
The molecular weight of (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate is 414.13 g/mol.
Where can I buy (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate?
You can request a quote for (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (1-phenyltetrazol-5-yl) (1E)-N-(4-methylanilino)-2-oxo-2-phenylethanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.