![methyl dioxo(phenyl)[?]carboxylate structure](/static/products/6513/65138-04-7.webp)
methyl dioxo(phenyl)[?]carboxylate
TL;DR: methyl dioxo(phenyl)[?]carboxylate (CAS 65138-04-7) is a chemical compound with molecular formula C17H15N3O4 and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-dioxo-4-phenyl-2,4,6-triazatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-9-carboxylate
Also Known As: methyl dioxo(phenyl)[?]carboxylate, 5,7-Etheno-1H,5H-cyclopropa(d)(1,2,4)triazolo(1,2-a)pyridazine-6-carboxylic acid, 2,3,5a,6,6a,7-hexahydro-1,3-dioxo-2-phenyl-, methyl ester, 5,7-Etheno-1H,5H-cyclopropa[d][1,2,4]triazolo[1,2-a]pyridazine-6-carboxylic acid, 2,3,5a,6,6a,7-hexahydro-1,3-dioxo-2-phenyl-, methyl ester, Methyl 1,3-dioxo-2-phenylhexahydro-1H,5H-5,7-ethenocyclopropa[d][1,2,4]triazolo[1,2-a]pyridazine-6-carboxylate
| Molecular Formula | C17H15N3O4 |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.10626 |
| Heavy Atoms | 24 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 65138-04-7 |
|---|---|
| SMILES | COC(=O)C1C2C1C3C=CC2N4N3C(=O)N(C4=O)C5=CC=CC=C5 |
| InChIKey | SAYWENUPKJXPRT-UHFFFAOYSA-N |
Product Overview
methyl dioxo(phenyl)[?]carboxylate (CAS 65138-04-7), with molecular formula C17H15N3O4 and molecular weight 325.11 g/mol. IUPAC: methyl 3,5-dioxo-4-phenyl-2,4,6-triazatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-9-carboxylate.
Chemical Property Profile of methyl dioxo(phenyl)[?]carboxylate
Property Insights of methyl dioxo(phenyl)[?]carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl dioxo(phenyl)[?]carboxylate. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl dioxo(phenyl)[?]carboxylate. Following Lipinski's Rule of Five, methyl dioxo(phenyl)[?]carboxylate has 0 hydrogen bond donor(s) and 4 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 dioxo(phenyl)[?]carboxylate?
The CAS number of methyl dioxo(phenyl)[?]carboxylate is 65138-04-7.
What is the molecular formula of methyl dioxo(phenyl)[?]carboxylate?
The molecular formula of methyl dioxo(phenyl)[?]carboxylate is C17H15N3O4.
What is the molecular weight of methyl dioxo(phenyl)[?]carboxylate?
The molecular weight of methyl dioxo(phenyl)[?]carboxylate is 325.11 g/mol.
Where can I buy methyl dioxo(phenyl)[?]carboxylate?
You can request a quote for methyl dioxo(phenyl)[?]carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl dioxo(phenyl)[?]carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl dioxo(phenyl)[?]carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.