RefChem:239528
TL;DR: RefChem:239528 (CAS 96885-57-3) is a chemical compound with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: 7-p-Methoxybenzoylmethyl-8-N-piperidinotheophylline, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-methoxyphenyl)-2-oxoethyl)-8-(1-piperidinyl)-, A3519/0149032, 7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione, 7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-piperidin-1-yl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H25N5O4 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 1.3155 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.19064 |
| Heavy Atoms | 30 |
| Complexity | 1213.3982 |
Chemical Identifiers
| CAS Number | 96885-57-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CC(=O)C4=CC=C(C=C4)OC |
Product Overview
RefChem:239528 (CAS 96885-57-3), with molecular formula C21H25N5O4 and molecular weight 411.19 g/mol. IUPAC: 7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of RefChem:239528
Property Insights of RefChem:239528
The XLogP value of 1.3155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239528. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239528. Following Lipinski's Rule of Five, RefChem:239528 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 RefChem:239528?
The CAS number of RefChem:239528 is 96885-57-3.
What is the molecular formula of RefChem:239528?
The molecular formula of RefChem:239528 is C21H25N5O4.
What is the molecular weight of RefChem:239528?
The molecular weight of RefChem:239528 is 411.19 g/mol.
Where can I buy RefChem:239528?
You can request a quote for RefChem:239528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239528?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.