8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 442864-99-5) is a chemical compound with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-methoxypropylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, BAS 04914726, F1191-0118, 8-(3-methoxypropylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione, 8-((3-MEO-PROPYL)AMINO)-3-ME-7-(3-METHYLBENZYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C18H23N5O3 |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 1.22842 |
| Topological Polar Surface Area | 93.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 357.18008 |
| Heavy Atoms | 26 |
| Complexity | 1031.4631 |
Chemical Identifiers
| CAS Number | 442864-99-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2NCCCOC)N(C(=O)NC3=O)C |
Product Overview
8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 442864-99-5), with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol. IUPAC: 8-(3-methoxypropylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.22842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 93.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione has 2 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 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 442864-99-5.
What is the molecular formula of 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is C18H23N5O3.
What is the molecular weight of 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 357.18 g/mol.
Where can I buy 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((3-methoxypropyl)amino)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.