F2013-0648
TL;DR: F2013-0648 (CAS 877616-87-0) is a chemical compound with molecular formula C25H24ClN5O4 and molecular weight 493.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[9-(3-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: F2013-0648, benzyl 2-(9-(3-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate, benzyl 2-[9-(3-chloro-2-methylphenyl)-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-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
| Molecular Formula | C25H24ClN5O4 |
|---|---|
| Molecular Weight | 493.15 g/mol |
| LogP | 3.14372 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 493.15167 |
| Heavy Atoms | 35 |
| Complexity | 1554.3574 |
Chemical Identifiers
| CAS Number | 877616-87-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)OCC5=CC=CC=C5 |
Product Overview
F2013-0648 (CAS 877616-87-0), with molecular formula C25H24ClN5O4 and molecular weight 493.15 g/mol. IUPAC: benzyl 2-[9-(3-chloro-2-methylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of F2013-0648
Property Insights of F2013-0648
The XLogP value of 3.14372 indicates that F2013-0648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for F2013-0648. Following Lipinski's Rule of Five, F2013-0648 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 F2013-0648?
The CAS number of F2013-0648 is 877616-87-0.
What is the molecular formula of F2013-0648?
The molecular formula of F2013-0648 is C25H24ClN5O4.
What is the molecular weight of F2013-0648?
The molecular weight of F2013-0648 is 493.15 g/mol.
Where can I buy F2013-0648?
You can request a quote for F2013-0648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2013-0648?
Yes, KEHONG BIO provides custom synthesis services for F2013-0648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.