AB00775277-01
TL;DR: AB00775277-01 (CAS 847039-95-6) is a chemical compound with molecular formula C24H24ClN5O2 and molecular weight 449.16187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-chlorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Also Known As: AB00775277-01, 3-(2-chlorobenzyl)-1,7-dimethyl-9-(3-methylphenyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione, 3-[(2-chlorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione, 3-[(2-chlorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione, 3-(2-chlorobenzyl)-1,7-dimethyl-9-(m-tolyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione
Technical Specifications
| Molecular Formula | C24H24ClN5O2 |
| Molecular Weight | 449.16187 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 61.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.16187 Da |
| Heavy Atoms | 32 |
| Complexity | 737.0 |
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl)C5=CC=CC(=C5)C |
| InChIKey | WVXOGSIBEVWLGJ-UHFFFAOYSA-N |
Chemical Property Profile of AB00775277-01
Property Insights of AB00775277-01
The XLogP value of 4.6 indicates that AB00775277-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00775277-01. Following Lipinski's Rule of Five, AB00775277-01 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
What is the CAS number of AB00775277-01?
The CAS number of AB00775277-01 is 847039-95-6.
What is the molecular formula of AB00775277-01?
The molecular formula of AB00775277-01 is C24H24ClN5O2.
What is the molecular weight of AB00775277-01?
The molecular weight of AB00775277-01 is 449.16187 g/mol.
Where can I buy AB00775277-01?
You can request a quote for AB00775277-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00775277-01?
Yes, CoreyChem provides custom synthesis services for AB00775277-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.