ChemDiv1_023421
TL;DR: ChemDiv1_023421 (CAS 332861-06-0) is a chemical compound with molecular formula C19H12N4O6 and molecular weight 392.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-2-(5-nitrofuran-2-yl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
Also Known As: ChemDiv1_023421, AJ-292/14408145, 1-methyl-5-(5-nitrofuran-2-yl)-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H,5H,11H)-trione, 1-methyl-5-(5-nitrofuran-2-yl)-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 4,6-dihydroxy-1-methyl-5-(5-nitrofuran-2-yl)-1,5-dihydro-2H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-2-one
| Molecular Formula | C19H12N4O6 |
|---|---|
| Molecular Weight | 392.08 g/mol |
| LogP | 1.7398 |
| Topological Polar Surface Area | 140.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.07568 |
| Heavy Atoms | 29 |
| Complexity | 1390.1663 |
Chemical Identifiers
| CAS Number | 332861-06-0 |
|---|---|
| SMILES | CN1C2=C(C(C3=C(N2)C4=CC=CC=C4C3=O)C5=CC=C(O5)[N+](=O)[O-])C(=O)NC1=O |
Product Overview
ChemDiv1_023421 (CAS 332861-06-0), with molecular formula C19H12N4O6 and molecular weight 392.08 g/mol. IUPAC: 7-methyl-2-(5-nitrofuran-2-yl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione.
Chemical Property Profile of ChemDiv1_023421
Property Insights of ChemDiv1_023421
The XLogP value of 1.7398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_023421. The TPSA of 140.24 Ų indicates high polarity, suggesting ChemDiv1_023421 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_023421 has 2 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 ChemDiv1_023421?
The CAS number of ChemDiv1_023421 is 332861-06-0.
What is the molecular formula of ChemDiv1_023421?
The molecular formula of ChemDiv1_023421 is C19H12N4O6.
What is the molecular weight of ChemDiv1_023421?
The molecular weight of ChemDiv1_023421 is 392.08 g/mol.
Where can I buy ChemDiv1_023421?
You can request a quote for ChemDiv1_023421 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023421?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023421 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.