![methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate structure](/static/products/796/796877-32-2.png)
methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
TL;DR: methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 796877-32-2) is a chemical compound with molecular formula C16H13Cl2N3O5 and molecular weight 397.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Also Known As: methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, methyl 4-acetyl-8-(3,5-dichlorophenyl)-7,9-dioxo-3,4,8-triazaspiro[4.4]non-2-ene-2-carboxylate
| Molecular Formula | C16H13Cl2N3O5 |
|---|---|
| Molecular Weight | 397.02 g/mol |
| LogP | 1.7767 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.02322 |
| Heavy Atoms | 26 |
| Complexity | 864.3862 |
Chemical Identifiers
| CAS Number | 796877-32-2 |
|---|---|
| SMILES | CC(=O)N1C2(CC(=N1)C(=O)OC)CC(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl |
Product Overview
methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 796877-32-2), with molecular formula C16H13Cl2N3O5 and molecular weight 397.02 g/mol. IUPAC: methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate.
Chemical Property Profile of methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Property Insights of methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
The XLogP value of 1.7767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The CAS number of methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 796877-32-2.
What is the molecular formula of methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular formula of methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is C16H13Cl2N3O5.
What is the molecular weight of methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular weight of methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 397.02 g/mol.
Where can I buy methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
You can request a quote for methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-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 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-acetyl-7-(3,5-dichlorophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.