![dimethyl oxo[?]dicarboxylate structure](/static/products/4014/40142-54-9.webp)
dimethyl oxo[?]dicarboxylate
TL;DR: dimethyl oxo[?]dicarboxylate (CAS 40142-54-9) is a chemical compound with molecular formula C18H12N2O5 and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaene-11,12-dicarboxylate
Also Known As: dimethyl oxo[?]dicarboxylate, 7H-Benzo(de)pyrazolo(5,1-a)isoquinoline-10,11-dicarboxylic acid, 7-oxo-, dimethyl ester, 7H-Benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylic acid, 7-oxo-, dimethyl ester, Dimethyl 7-oxo-7H-benzo[de]pyrazolo[5,1-a]isoquinoline-10,11-dicarboxylate
| Molecular Formula | C18H12N2O5 |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.07462 |
| Heavy Atoms | 25 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 40142-54-9 |
|---|---|
| SMILES | COC(=O)C1=C2C3=CC=CC4=C3C(=CC=C4)C(=O)N2N=C1C(=O)OC |
| InChIKey | JUHFGCDCAWTVBE-UHFFFAOYSA-N |
Product Overview
dimethyl oxo[?]dicarboxylate (CAS 40142-54-9), with molecular formula C18H12N2O5 and molecular weight 336.07 g/mol. IUPAC: dimethyl 15-oxo-13,14-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10,12-heptaene-11,12-dicarboxylate.
Chemical Property Profile of dimethyl oxo[?]dicarboxylate
Property Insights of dimethyl oxo[?]dicarboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl oxo[?]dicarboxylate. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl oxo[?]dicarboxylate. Following Lipinski's Rule of Five, dimethyl oxo[?]dicarboxylate 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 dimethyl oxo[?]dicarboxylate?
The CAS number of dimethyl oxo[?]dicarboxylate is 40142-54-9.
What is the molecular formula of dimethyl oxo[?]dicarboxylate?
The molecular formula of dimethyl oxo[?]dicarboxylate is C18H12N2O5.
What is the molecular weight of dimethyl oxo[?]dicarboxylate?
The molecular weight of dimethyl oxo[?]dicarboxylate is 336.07 g/mol.
Where can I buy dimethyl oxo[?]dicarboxylate?
You can request a quote for dimethyl oxo[?]dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl oxo[?]dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl oxo[?]dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.