5-26-14-00058 (Beilstein Handbook Reference)
TL;DR: 5-26-14-00058 (Beilstein Handbook Reference) (CAS 5652-32-4) is a chemical compound with molecular formula C24H34N6O3 and molecular weight 454.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 5-26-14-00058 (Beilstein Handbook Reference), Theophylline, 7-(2-hydroxy-3-(4-(p-isopropylbenzyl)-1-piperazinyl)propyl)-, 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-isopropylbenzyl)-, 7-[2-hydroxy-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione, 1-Piperazineethanol, alpha-(1,3-dimethyl-7-xanthinylmethyl)-4-(p-isopr opylbenzyl)-
| Molecular Formula | C24H34N6O3 |
|---|---|
| Molecular Weight | 454.27 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.26923 |
| Heavy Atoms | 33 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 5652-32-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CN2CCN(CC2)CC(CN3C=NC4=C3C(=O)N(C(=O)N4C)C)O |
| InChIKey | WCZHUTAWPZQKSD-UHFFFAOYSA-N |
Product Overview
5-26-14-00058 (Beilstein Handbook Reference) (CAS 5652-32-4), with molecular formula C24H34N6O3 and molecular weight 454.27 g/mol. IUPAC: 7-[2-hydroxy-3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 5-26-14-00058 (Beilstein Handbook Reference)
Property Insights of 5-26-14-00058 (Beilstein Handbook Reference)
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-26-14-00058 (Beilstein Handbook Reference). The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-26-14-00058 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-26-14-00058 (Beilstein Handbook Reference) has 1 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 5-26-14-00058 (Beilstein Handbook Reference)?
The CAS number of 5-26-14-00058 (Beilstein Handbook Reference) is 5652-32-4.
What is the molecular formula of 5-26-14-00058 (Beilstein Handbook Reference)?
The molecular formula of 5-26-14-00058 (Beilstein Handbook Reference) is C24H34N6O3.
What is the molecular weight of 5-26-14-00058 (Beilstein Handbook Reference)?
The molecular weight of 5-26-14-00058 (Beilstein Handbook Reference) is 454.27 g/mol.
Where can I buy 5-26-14-00058 (Beilstein Handbook Reference)?
You can request a quote for 5-26-14-00058 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-26-14-00058 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-26-14-00058 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.