Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate
TL;DR: Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate (CAS 86785-57-1) is a chemical compound with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate
Also Known As: trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate
| Molecular Formula | C20H18N2O6 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.1165 |
| Heavy Atoms | 28 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 86785-57-1 |
|---|---|
| SMILES | COC(=O)C1(C2=CC=CC=C2N(N=C1C3=CC=CC=C3)C(=O)OC)C(=O)OC |
| InChIKey | GAJFKPIHALQLEH-UHFFFAOYSA-N |
Product Overview
Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate (CAS 86785-57-1), with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol. IUPAC: trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate.
Chemical Property Profile of Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate
Property Insights of Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate
The XLogP value of 3.1 indicates that Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate. Following Lipinski's Rule of Five, Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate has 0 hydrogen bond donor(s) and 7 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 Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate?
The CAS number of Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate is 86785-57-1.
What is the molecular formula of Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate?
The molecular formula of Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate is C20H18N2O6.
What is the molecular weight of Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate?
The molecular weight of Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate is 382.12 g/mol.
Where can I buy Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate?
You can request a quote for Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl 3-phenylcinnoline-1,4,4-tricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.