7-p-Toluoylmethyl-8-N-piperidinotheophylline
TL;DR: 7-p-Toluoylmethyl-8-N-piperidinotheophylline (CAS 96885-58-4) is a chemical compound with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-piperidin-1-ylpurine-2,6-dione
Also Known As: 7-p-Toluoylmethyl-8-N-piperidinotheophylline, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-methylphenyl)-2-oxoethyl)-8-(1-piperidinyl)-, 3,7-Dihydro-1,3-dimethyl-7-(2-(p-tolyl)-2-oxoethyl)-8-(1-piperidinyl)-1H-purine-2,6-dione, 1h-purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-8-, 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2- -8- -
| Molecular Formula | C21H25N5O3 |
|---|---|
| Molecular Weight | 395.20 g/mol |
| LogP | 1.61532 |
| Topological Polar Surface Area | 82.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.19574 |
| Heavy Atoms | 29 |
| Complexity | 1194.2552 |
Chemical Identifiers
| CAS Number | 96885-58-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2N4CCCCC4)N(C(=O)N(C3=O)C)C |
Product Overview
7-p-Toluoylmethyl-8-N-piperidinotheophylline (CAS 96885-58-4), with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol. IUPAC: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-p-Toluoylmethyl-8-N-piperidinotheophylline
Property Insights of 7-p-Toluoylmethyl-8-N-piperidinotheophylline
The XLogP value of 1.61532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-p-Toluoylmethyl-8-N-piperidinotheophylline. The TPSA of 82.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-p-Toluoylmethyl-8-N-piperidinotheophylline. Following Lipinski's Rule of Five, 7-p-Toluoylmethyl-8-N-piperidinotheophylline has 0 hydrogen bond donor(s) and 5 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 7-p-Toluoylmethyl-8-N-piperidinotheophylline?
The CAS number of 7-p-Toluoylmethyl-8-N-piperidinotheophylline is 96885-58-4.
What is the molecular formula of 7-p-Toluoylmethyl-8-N-piperidinotheophylline?
The molecular formula of 7-p-Toluoylmethyl-8-N-piperidinotheophylline is C21H25N5O3.
What is the molecular weight of 7-p-Toluoylmethyl-8-N-piperidinotheophylline?
The molecular weight of 7-p-Toluoylmethyl-8-N-piperidinotheophylline is 395.20 g/mol.
Where can I buy 7-p-Toluoylmethyl-8-N-piperidinotheophylline?
You can request a quote for 7-p-Toluoylmethyl-8-N-piperidinotheophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-p-Toluoylmethyl-8-N-piperidinotheophylline?
Yes, KEHONG BIO provides custom synthesis services for 7-p-Toluoylmethyl-8-N-piperidinotheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.