![ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate structure](/static/products/380/380871-93-2.png)
ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate
TL;DR: ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate (CAS 380871-93-2) is a chemical compound with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-(2,5-dimethylphenyl)-4-(3-nitrophenyl)-10-phenyl-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene-2-carboxylate
Also Known As: ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate, ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-10-phenyl-4-thia-1,2,9,10-tetrazaspiro[4.5]deca-2,8-diene-3-carboxylate
| Molecular Formula | C28H27N5O4S |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 5.99994 |
| Topological Polar Surface Area | 100.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 529.1784 |
| Heavy Atoms | 38 |
| Complexity | 1458.6079 |
Chemical Identifiers
| CAS Number | 380871-93-2 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2(S1)CCC(=NN2C3=CC=CC=C3)C4=C(C=CC(=C4)C)C)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate (CAS 380871-93-2), with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol. IUPAC: ethyl 8-(2,5-dimethylphenyl)-4-(3-nitrophenyl)-10-phenyl-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,8-diene-2-carboxylate.
Chemical Property Profile of ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate
Property Insights of ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate
The XLogP value of 5.99994 indicates that ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate?
The CAS number of ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate is 380871-93-2.
What is the molecular formula of ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate?
The molecular formula of ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate is C28H27N5O4S.
What is the molecular weight of ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate?
The molecular weight of ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate is 529.18 g/mol.
Where can I buy ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate?
You can request a quote for ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 8-(2,5-dimethylphenyl)-1-(3-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.