![methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate structure](/static/products/668/668446-37-5.png)
methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate
TL;DR: methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate (CAS 668446-37-5) is a chemical compound with molecular formula C25H18ClN5O4S and molecular weight 519.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-(4-chlorophenyl)-4-(2-nitrophenyl)-10-phenyl-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,6,8-triene-2-carboxylate
Also Known As: methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate, methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-10-phenyl-4-thia-1,2,9,10-tetrazaspiro[4.5]deca-2,6,8-triene-3-carboxylate
| Molecular Formula | C25H18ClN5O4S |
|---|---|
| Molecular Weight | 519.08 g/mol |
| LogP | 5.4224 |
| Topological Polar Surface Area | 100.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.0768 |
| Heavy Atoms | 36 |
| Complexity | 1427.8768 |
Chemical Identifiers
| CAS Number | 668446-37-5 |
|---|---|
| SMILES | COC(=O)C1=NN(C2(S1)C=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5[N+](=O)[O-] |
Product Overview
methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate (CAS 668446-37-5), with molecular formula C25H18ClN5O4S and molecular weight 519.08 g/mol. IUPAC: methyl 8-(4-chlorophenyl)-4-(2-nitrophenyl)-10-phenyl-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,6,8-triene-2-carboxylate.
Chemical Property Profile of methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate
Property Insights of methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate
The XLogP value of 5.4224 indicates that methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-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 methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate. Following Lipinski's Rule of Five, methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-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 methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate?
The CAS number of methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate is 668446-37-5.
What is the molecular formula of methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate?
The molecular formula of methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate is C25H18ClN5O4S.
What is the molecular weight of methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate?
The molecular weight of methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate is 519.08 g/mol.
Where can I buy methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate?
You can request a quote for methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 8-(4-chlorophenyl)-1-(2-nitrophenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.