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Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
TL;DR: Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 370586-70-2) is a chemical compound with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Also Known As: methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, A4064/0173149, methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro-[4.4]non-2-ene-3-carboxylate, methyl 7,9-dioxo-8-phenyl-3,4,8-triazaspiro[4.4]non-2-ene-2-carboxylate
| Molecular Formula | C14H13N3O4 |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 0.211 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.0906 |
| Heavy Atoms | 21 |
| Complexity | 655.4428 |
Chemical Identifiers
| CAS Number | 370586-70-2 |
|---|---|
| SMILES | COC(=O)C1=NNC2(C1)CC(=O)N(C2=O)C3=CC=CC=C3 |
Product Overview
Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 370586-70-2), with molecular formula C14H13N3O4 and molecular weight 287.09 g/mol. IUPAC: methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate.
Chemical Property Profile of Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Property Insights of Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
The XLogP value of 0.211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate has 1 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 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The CAS number of Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 370586-70-2.
What is the molecular formula of Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular formula of Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is C14H13N3O4.
What is the molecular weight of Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular weight of Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 287.09 g/mol.
Where can I buy Methyl 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
You can request a quote for Methyl 6,8-dioxo-7-phenyl-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 6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6,8-dioxo-7-phenyl-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.