![methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate structure](/static/products/670/670263-25-9.png)
methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
TL;DR: methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate (CAS 670263-25-9) is a chemical compound with molecular formula C21H18N4O5S2 and molecular weight 470.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyl-8-methyl-4-(3-nitrophenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Also Known As: methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate, methyl 8-acetyl-2-methyl-6-(3-nitrophenyl)-1-phenyl-4,9-dithia-1,6,7-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
| Molecular Formula | C21H18N4O5S2 |
|---|---|
| Molecular Weight | 470.07 g/mol |
| LogP | 4.3197 |
| Topological Polar Surface Area | 105.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.07187 |
| Heavy Atoms | 32 |
| Complexity | 1183.7223 |
Chemical Identifiers
| CAS Number | 670263-25-9 |
|---|---|
| SMILES | CC1=C(SC2(N1C3=CC=CC=C3)N(N=C(S2)C(=O)C)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate (CAS 670263-25-9), with molecular formula C21H18N4O5S2 and molecular weight 470.07 g/mol. IUPAC: methyl 2-acetyl-8-methyl-4-(3-nitrophenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate.
Chemical Property Profile of methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Property Insights of methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
The XLogP value of 4.3197 indicates that methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.35 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate. Following Lipinski's Rule of Five, methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate has 0 hydrogen bond donor(s) and 10 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 methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate?
The CAS number of methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate is 670263-25-9.
What is the molecular formula of methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate?
The molecular formula of methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate is C21H18N4O5S2.
What is the molecular weight of methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate?
The molecular weight of methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate is 470.07 g/mol.
Where can I buy methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate?
You can request a quote for methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-acetyl-8-methyl-1-(3-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.