![methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate structure](/static/products/668/668446-28-4.png)
methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate
TL;DR: methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate (CAS 668446-28-4) is a chemical compound with molecular formula C25H19ClN4O2S and molecular weight 474.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-(4-chlorophenyl)-4,10-diphenyl-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,6,8-triene-2-carboxylate
Also Known As: methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate, methyl 8-(4-chlorophenyl)-1,10-diphenyl-4-thia-1,2,9,10-tetrazaspiro[4.5]deca-2,6,8-triene-3-carboxylate
| Molecular Formula | C25H19ClN4O2S |
|---|---|
| Molecular Weight | 474.09 g/mol |
| LogP | 5.5142 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.09174 |
| Heavy Atoms | 33 |
| Complexity | 1262.584 |
Chemical Identifiers
| CAS Number | 668446-28-4 |
|---|---|
| SMILES | COC(=O)C1=NN(C2(S1)C=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5 |
Product Overview
methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate (CAS 668446-28-4), with molecular formula C25H19ClN4O2S and molecular weight 474.09 g/mol. IUPAC: methyl 8-(4-chlorophenyl)-4,10-diphenyl-1-thia-3,4,9,10-tetrazaspiro[4.5]deca-2,6,8-triene-2-carboxylate.
Chemical Property Profile of methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate
Property Insights of methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate
The XLogP value of 5.5142 indicates that methyl 8-(4-chlorophenyl)-1,6-diphenyl-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. With a topological polar surface area (TPSA) of 57.5 Ų, methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate has 0 hydrogen bond donor(s) and 7 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)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate?
The CAS number of methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate is 668446-28-4.
What is the molecular formula of methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate?
The molecular formula of methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate is C25H19ClN4O2S.
What is the molecular weight of methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate?
The molecular weight of methyl 8-(4-chlorophenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7,9-triene-3-carboxylate is 474.09 g/mol.
Where can I buy methyl 8-(4-chlorophenyl)-1,6-diphenyl-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)-1,6-diphenyl-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)-1,6-diphenyl-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)-1,6-diphenyl-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.