F2013-0558
TL;DR: F2013-0558 (CAS 877616-75-6) is a chemical compound with molecular formula C24H22ClN5O4 and molecular weight 479.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[9-(3-chlorophenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: F2013-0558, benzyl 2-(9-(3-chlorophenyl)-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate, benzyl 2-[9-(3-chlorophenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate, benzyl 2-[9-(3-chlorophenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
| Molecular Formula | C24H22ClN5O4 |
|---|---|
| Molecular Weight | 479.14 g/mol |
| LogP | 2.8353 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.13602 |
| Heavy Atoms | 34 |
| Complexity | 1505.8147 |
Chemical Identifiers
| CAS Number | 877616-75-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(=O)OCC3=CC=CC=C3)N4CCCN(C4=N2)C5=CC(=CC=C5)Cl |
Product Overview
F2013-0558 (CAS 877616-75-6), with molecular formula C24H22ClN5O4 and molecular weight 479.14 g/mol. IUPAC: benzyl 2-[9-(3-chlorophenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of F2013-0558
Property Insights of F2013-0558
The XLogP value of 2.8353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2013-0558. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for F2013-0558. Following Lipinski's Rule of Five, F2013-0558 has 0 hydrogen bond donor(s) and 6 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 F2013-0558?
The CAS number of F2013-0558 is 877616-75-6.
What is the molecular formula of F2013-0558?
The molecular formula of F2013-0558 is C24H22ClN5O4.
What is the molecular weight of F2013-0558?
The molecular weight of F2013-0558 is 479.14 g/mol.
Where can I buy F2013-0558?
You can request a quote for F2013-0558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2013-0558?
Yes, KEHONG BIO provides custom synthesis services for F2013-0558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.