F2013-0750
TL;DR: F2013-0750 (CAS 877617-70-4) is a chemical compound with molecular formula C20H22ClN5O2 and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-chlorophenyl)-1,7-dimethyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: F2013-0750, 9-(3-chlorophenyl)-1,7-dimethyl-3-(2-methylallyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(3-chlorophenyl)-1,7-dimethyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 8-(m-chlorophenyl)-1-methyl-6-methyl-3-(2-methyl-2-propenyl)-1,3,4b,8,9-pentaaza-1,2,3,4,5,6,7,8-octahydro-2,4-fluorenedione, 9-(3-chlorophenyl)-1,7-dimethyl-3-(2-methylprop-2-en-1-yl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
| Molecular Formula | C20H22ClN5O2 |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | 2.914 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1462 |
| Heavy Atoms | 28 |
| Complexity | 1219.7847 |
Chemical Identifiers
| CAS Number | 877617-70-4 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=C)C)C4=CC(=CC=C4)Cl |
Product Overview
F2013-0750 (CAS 877617-70-4), with molecular formula C20H22ClN5O2 and molecular weight 399.15 g/mol. IUPAC: 9-(3-chlorophenyl)-1,7-dimethyl-3-(2-methylprop-2-enyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.
Chemical Property Profile of F2013-0750
Property Insights of F2013-0750
The XLogP value of 2.914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2013-0750. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for F2013-0750. Following Lipinski's Rule of Five, F2013-0750 has 0 hydrogen bond donor(s) and 4 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 F2013-0750?
The CAS number of F2013-0750 is 877617-70-4.
What is the molecular formula of F2013-0750?
The molecular formula of F2013-0750 is C20H22ClN5O2.
What is the molecular weight of F2013-0750?
The molecular weight of F2013-0750 is 399.15 g/mol.
Where can I buy F2013-0750?
You can request a quote for F2013-0750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2013-0750?
Yes, KEHONG BIO provides custom synthesis services for F2013-0750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.