![methyl 8-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate structure](/static/products/668/668446-33-1.png)
methyl 8-(4-chlorophenyl)-1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate (CAS 668446-33-1) is a chemical compound with molecular formula C26H21ClN4O3S and molecular weight 504.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-(4-chlorophenyl)-4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate, methyl 8-(4-chlorophenyl)-1-(4-methoxyphenyl)-10-phenyl-4-thia-1,2,9,10-tetrazaspiro[4.5]deca-2,6,8-triene-3-carboxylate
| Molecular Formula | C26H21ClN4O3S |
|---|---|
| Molecular Weight | 504.10 g/mol |
| LogP | 5.5228 |
| Topological Polar Surface Area | 66.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.1023 |
| Heavy Atoms | 35 |
| Complexity | 1326.9675 |
Chemical Identifiers
| CAS Number | 668446-33-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C3(C=CC(=NN3C4=CC=CC=C4)C5=CC=C(C=C5)Cl)SC(=N2)C(=O)OC |
Product Overview
methyl 8-(4-chlorophenyl)-1-(4-methoxyphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate (CAS 668446-33-1), with molecular formula C26H21ClN4O3S and molecular weight 504.10 g/mol. IUPAC: methyl 8-(4-chlorophenyl)-4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate
The XLogP value of 5.5228 indicates that methyl 8-(4-chlorophenyl)-1-(4-methoxyphenyl)-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 66.73 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 8-(4-chlorophenyl)-1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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 8 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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate is 668446-33-1.
What is the molecular formula of methyl 8-(4-chlorophenyl)-1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate is C26H21ClN4O3S.
What is the molecular weight of methyl 8-(4-chlorophenyl)-1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-6-phenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate is 504.10 g/mol.
Where can I buy methyl 8-(4-chlorophenyl)-1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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.