![ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate structure](/static/products/670/670263-52-2.png)
ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
TL;DR: ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate (CAS 670263-52-2) is a chemical compound with molecular formula C23H23N3O3S2 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-8-methyl-4-(3-methylphenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Also Known As: ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate, ethyl 3-acetyl-8-methyl-9-phenyl-1-(m-tolyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate, ethyl 8-acetyl-2-methyl-6-(3-methylphenyl)-1-phenyl-4,9-dithia-1,6,7-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
| Molecular Formula | C23H23N3O3S2 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 5.11002 |
| Topological Polar Surface Area | 62.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.11807 |
| Heavy Atoms | 31 |
| Complexity | 1100.2554 |
Chemical Identifiers
| CAS Number | 670263-52-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2(S1)N(N=C(S2)C(=O)C)C3=CC=CC(=C3)C)C4=CC=CC=C4)C |
Product Overview
ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate (CAS 670263-52-2), with molecular formula C23H23N3O3S2 and molecular weight 453.12 g/mol. IUPAC: ethyl 2-acetyl-8-methyl-4-(3-methylphenyl)-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate.
Chemical Property Profile of ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Property Insights of ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
The XLogP value of 5.11002 indicates that ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-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 62.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate. Following Lipinski's Rule of Five, ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-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 ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate?
The CAS number of ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate is 670263-52-2.
What is the molecular formula of ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate?
The molecular formula of ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate is C23H23N3O3S2.
What is the molecular weight of ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate?
The molecular weight of ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate is 453.12 g/mol.
Where can I buy ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate?
You can request a quote for ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-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 ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-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 ethyl 3-acetyl-8-methyl-1-(3-methylphenyl)-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.