ChemDiv3_011711
TL;DR: ChemDiv3_011711 (CAS 893699-59-7) is a chemical compound with molecular formula C15H12N4O3 and molecular weight 296.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-methoxyethyl)-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: ChemDiv3_011711, IDI1_029269, BRD-K58495687-001-01-6, 1-(2-methoxyethyl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile, 1-(2-METHOXYETHYL)-2,5-DIOXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-3-YL CYANIDE
| Molecular Formula | C15H12N4O3 |
|---|---|
| Molecular Weight | 296.09 g/mol |
| LogP | 0.52748 |
| Topological Polar Surface Area | 89.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.09094 |
| Heavy Atoms | 22 |
| Complexity | 1027.0377 |
Chemical Identifiers
| CAS Number | 893699-59-7 |
|---|---|
| SMILES | COCCN1C2=C(C=C(C1=O)C#N)C(=O)N3C=CC=CC3=N2 |
Product Overview
ChemDiv3_011711 (CAS 893699-59-7), with molecular formula C15H12N4O3 and molecular weight 296.09 g/mol. IUPAC: 7-(2-methoxyethyl)-2,6-dioxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
Chemical Property Profile of ChemDiv3_011711
Property Insights of ChemDiv3_011711
The XLogP value of 0.52748 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_011711. The TPSA of 89.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_011711. Following Lipinski's Rule of Five, ChemDiv3_011711 has 0 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 ChemDiv3_011711?
The CAS number of ChemDiv3_011711 is 893699-59-7.
What is the molecular formula of ChemDiv3_011711?
The molecular formula of ChemDiv3_011711 is C15H12N4O3.
What is the molecular weight of ChemDiv3_011711?
The molecular weight of ChemDiv3_011711 is 296.09 g/mol.
Where can I buy ChemDiv3_011711?
You can request a quote for ChemDiv3_011711 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_011711?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_011711 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.