RefChem:384398
TL;DR: RefChem:384398 (CAS 51920-69-5) is a chemical compound with molecular formula C25H27N7O6 and molecular weight 521.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(pyridine-4-carbonyloxy)propyl]-methylamino]ethyl pyridine-4-carboxylate
Also Known As: 7-(3-N-Methylisonicotinoyloxyethylamino)-2-(hydroxypropyl)theophylline isonicotinate, 7-Theophyllineethanol, alpha-(N-methylisonicotinoyloxyethylaminomethyl)-, isonicotinate, Theophylline, 7-(2-hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)-, diisonicotinate (ester), 1-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-3-{methyl[2-(pyridine-4-carbonyloxy)ethyl]amino}propan-2-yl pyridine-4-carboxylate, 2-((3-(1,3-Dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-2-(isonicotinoyloxy)propyl)(methyl)amino)ethyl isonicotinate
| Molecular Formula | C25H27N7O6 |
|---|---|
| Molecular Weight | 521.20 g/mol |
| LogP | 0.2381 |
| Topological Polar Surface Area | 143.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 521.2023 |
| Heavy Atoms | 38 |
| Complexity | 1545.7168 |
Chemical Identifiers
| CAS Number | 51920-69-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCOC(=O)C3=CC=NC=C3)OC(=O)C4=CC=NC=C4 |
Product Overview
RefChem:384398 (CAS 51920-69-5), with molecular formula C25H27N7O6 and molecular weight 521.20 g/mol. IUPAC: 2-[[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(pyridine-4-carbonyloxy)propyl]-methylamino]ethyl pyridine-4-carboxylate.
Chemical Property Profile of RefChem:384398
Property Insights of RefChem:384398
The XLogP value of 0.2381 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:384398. The TPSA of 143.44 Ų indicates high polarity, suggesting RefChem:384398 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:384398 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:384398?
The CAS number of RefChem:384398 is 51920-69-5.
What is the molecular formula of RefChem:384398?
The molecular formula of RefChem:384398 is C25H27N7O6.
What is the molecular weight of RefChem:384398?
The molecular weight of RefChem:384398 is 521.20 g/mol.
Where can I buy RefChem:384398?
You can request a quote for RefChem:384398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:384398?
Yes, KEHONG BIO provides custom synthesis services for RefChem:384398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.