7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine
TL;DR: 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine (CAS 300586-55-4) is a chemical compound with molecular formula C21H22N6O3 and molecular weight 406.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione
Also Known As: 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine, 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione, 7-(3-Methoxy-benzyl)-1,3-dimethyl-8-[(pyridin-3-ylmethyl)-amino]-3,7-dihydro-purine-2,6-dione, 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione, 7-(3-methoxybenzyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C21H22N6O3 |
|---|---|
| Molecular Weight | 406.18 g/mol |
| LogP | 1.4977 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.17532 |
| Heavy Atoms | 30 |
| Complexity | 1320.5673 |
Chemical Identifiers
| CAS Number | 300586-55-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CN=CC=C3)CC4=CC(=CC=C4)OC |
Product Overview
7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine (CAS 300586-55-4), with molecular formula C21H22N6O3 and molecular weight 406.18 g/mol. IUPAC: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione.
Chemical Property Profile of 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine
Property Insights of 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine
The XLogP value of 1.4977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine. Following Lipinski's Rule of Five, 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine 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 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine?
The CAS number of 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine is 300586-55-4.
What is the molecular formula of 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine?
The molecular formula of 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine is C21H22N6O3.
What is the molecular weight of 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine?
The molecular weight of 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine is 406.18 g/mol.
Where can I buy 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine?
You can request a quote for 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine?
Yes, KEHONG BIO provides custom synthesis services for 7-m-anisyl-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.