7,9-Di-decarboxy methoxatin
TL;DR: 7,9-Di-decarboxy methoxatin (CAS 95911-99-2) is a chemical compound with molecular formula C12H6N2O4 and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2-carboxylic acid
Also Known As: 7,9-Di-decarboxy methoxatin, 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2-carboxylic acid, 4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2-carboxylic acid, 1H-Pyrrolo[2,3-f]quinoline-2-carboxylicacid, 4,5-dihydro-4,5-dioxo-, 4,5-Dihydro-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2-carboxylic acid
| Molecular Formula | C12H6N2O4 |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.03276 |
| Heavy Atoms | 18 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 95911-99-2 |
|---|---|
| SMILES | C1=CC2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1 |
| InChIKey | DNQYRUJIYVDDRZ-UHFFFAOYSA-N |
Product Overview
7,9-Di-decarboxy methoxatin (CAS 95911-99-2), with molecular formula C12H6N2O4 and molecular weight 242.03 g/mol. IUPAC: 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2-carboxylic acid.
Chemical Property Profile of 7,9-Di-decarboxy methoxatin
Property Insights of 7,9-Di-decarboxy methoxatin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,9-Di-decarboxy methoxatin. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,9-Di-decarboxy methoxatin. Following Lipinski's Rule of Five, 7,9-Di-decarboxy methoxatin has 2 hydrogen bond donor(s) and 5 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 7,9-Di-decarboxy methoxatin?
The CAS number of 7,9-Di-decarboxy methoxatin is 95911-99-2.
What is the molecular formula of 7,9-Di-decarboxy methoxatin?
The molecular formula of 7,9-Di-decarboxy methoxatin is C12H6N2O4.
What is the molecular weight of 7,9-Di-decarboxy methoxatin?
The molecular weight of 7,9-Di-decarboxy methoxatin is 242.03 g/mol.
Where can I buy 7,9-Di-decarboxy methoxatin?
You can request a quote for 7,9-Di-decarboxy methoxatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,9-Di-decarboxy methoxatin?
Yes, KEHONG BIO provides custom synthesis services for 7,9-Di-decarboxy methoxatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.