Methoxatin trimethyl ester
TL;DR: Methoxatin trimethyl ester (CAS 74447-88-4) is a chemical compound with molecular formula C17H12N2O8 and molecular weight 372.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate
Also Known As: Methoxatin trimethyl ester, PQQ trimethyl ester, PQQ-Trimethylester, PQQ-TME, 5-Chlorovalericacid
| Molecular Formula | C17H12N2O8 |
|---|---|
| Molecular Weight | 372.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.05936 |
| Heavy Atoms | 27 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 74447-88-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=NC2=C1C3=C(C=C(N3)C(=O)OC)C(=O)C2=O)C(=O)OC |
| InChIKey | IYEWQFSKJDXIPI-UHFFFAOYSA-N |
Product Overview
Methoxatin trimethyl ester (CAS 74447-88-4), with molecular formula C17H12N2O8 and molecular weight 372.06 g/mol. IUPAC: trimethyl 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate.
Chemical Property Profile of Methoxatin trimethyl ester
Property Insights of Methoxatin trimethyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methoxatin trimethyl ester. The TPSA of 142.0 Ų indicates high polarity, suggesting Methoxatin trimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methoxatin trimethyl ester has 1 hydrogen bond donor(s) and 9 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 Methoxatin trimethyl ester?
The CAS number of Methoxatin trimethyl ester is 74447-88-4.
What is the molecular formula of Methoxatin trimethyl ester?
The molecular formula of Methoxatin trimethyl ester is C17H12N2O8.
What is the molecular weight of Methoxatin trimethyl ester?
The molecular weight of Methoxatin trimethyl ester is 372.06 g/mol.
Where can I buy Methoxatin trimethyl ester?
You can request a quote for Methoxatin trimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methoxatin trimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Methoxatin trimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.