RefChem:1058368
TL;DR: RefChem:1058368 (CAS 72754-66-6) is a chemical compound with molecular formula C22H22BrN5O2 and molecular weight 467.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[2-[[(4-bromophenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 5-26-14-00006 (Beilstein Handbook Reference), 3,7-Dihydro-7-(2-(((4-bromophenyl)phenylmethyl)amino)ethyl)-1,3-dimethyl-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(((4-bromophenyl)phenylmethyl)amino)ethyl)-1,3-dimethyl-, 1h-purine-2,6-dione, 7-[2-[[(4-bromophenyl)phenylmethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-, 7-[2-[[(4-bromophenyl)-phenylmethyl]amino]ethyl]-1,3-dimethy
Technical Specifications
| Molecular Formula | C22H22BrN5O2 |
| Molecular Weight | 467.0957 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.0957 Da |
| Heavy Atoms | 30 |
| Complexity | 621.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(C3=CC=CC=C3)C4=CC=C(C=C4)Br |
| InChIKey | SGLWLMJSJXFJPV-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1058368
Property Insights of RefChem:1058368
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058368. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058368. Following Lipinski's Rule of Five, RefChem:1058368 has 1 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 RefChem:1058368?
The CAS number of RefChem:1058368 is 72754-66-6.
What is the molecular formula of RefChem:1058368?
The molecular formula of RefChem:1058368 is C22H22BrN5O2.
What is the molecular weight of RefChem:1058368?
The molecular weight of RefChem:1058368 is 467.0957 g/mol.
Where can I buy RefChem:1058368?
You can request a quote for RefChem:1058368 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058368?
Yes, CoreyChem provides custom synthesis services for RefChem:1058368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.