C20H22N6O3
TL;DR: C20H22N6O3 (CAS 850803-70-2) is a chemical compound with molecular formula C20H22N6O3 and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1E)-N-[13-(2-methoxyethyl)-14-methyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl]ethanimidate
Also Known As: (E)-ethyl N-(3-(2-methoxyethyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)acetimidate, ethyl (1E)-N-[3-(2-methoxyethyl)-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]ethanimidoate
| Molecular Formula | C20H22N6O3 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 2.46722 |
| Topological Polar Surface Area | 96.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.17532 |
| Heavy Atoms | 29 |
| Complexity | 1304.797 |
Chemical Identifiers
| CAS Number | 850803-70-2 |
|---|---|
| SMILES | CCO/C(=N/N1C2=C(C3=NC4=CC=CC=C4N=C31)C(=O)N(C(=N2)C)CCOC)/C |
Product Overview
C20H22N6O3 (CAS 850803-70-2), with molecular formula C20H22N6O3 and molecular weight 394.18 g/mol. IUPAC: ethyl (1E)-N-[13-(2-methoxyethyl)-14-methyl-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl]ethanimidate.
Chemical Property Profile of C20H22N6O3
Property Insights of C20H22N6O3
The XLogP value of 2.46722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H22N6O3. The TPSA of 96.42 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H22N6O3. Following Lipinski's Rule of Five, C20H22N6O3 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 C20H22N6O3?
The CAS number of C20H22N6O3 is 850803-70-2.
What is the molecular formula of C20H22N6O3?
The molecular formula of C20H22N6O3 is C20H22N6O3.
What is the molecular weight of C20H22N6O3?
The molecular weight of C20H22N6O3 is 394.18 g/mol.
Where can I buy C20H22N6O3?
You can request a quote for C20H22N6O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22N6O3?
Yes, KEHONG BIO provides custom synthesis services for C20H22N6O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.