8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 674356-20-8) is a chemical compound with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Also Known As: 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione, 8-[bis(2-hydroxyethyl)amino]-6-hydroxy-3-methyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H23N5O4 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 0.4158 |
| Topological Polar Surface Area | 116.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.17502 |
| Heavy Atoms | 30 |
| Complexity | 1309.464 |
Chemical Identifiers
| CAS Number | 674356-20-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CCO)CC3=CC=CC4=CC=CC=C43 |
Product Overview
8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 674356-20-8), with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol. IUPAC: 8-[bis(2-hydroxyethyl)amino]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.4158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 116.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione has 3 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 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 674356-20-8.
What is the molecular formula of 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is C21H23N5O4.
What is the molecular weight of 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 409.18 g/mol.
Where can I buy 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-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-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(bis(2-hydroxyethyl)amino)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.