![7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/714/714947-45-2.png)
7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 714947-45-2) is a chemical compound with molecular formula C24H24N6O3S and molecular weight 476.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione
Also Known As: 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[benzyl(methyl)amino]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one, 7-(3-benzooxazol-2-ylsulfanylpropyl)-8-(benzyl-methyl-amino)-3-methyl-purine-2,6-dione, 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione
| Molecular Formula | C24H24N6O3S |
|---|---|
| Molecular Weight | 476.16 g/mol |
| LogP | 3.3833 |
| Topological Polar Surface Area | 101.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.16306 |
| Heavy Atoms | 34 |
| Complexity | 1533.9866 |
Chemical Identifiers
| CAS Number | 714947-45-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CCCSC4=NC5=CC=CC=C5O4 |
Product Overview
7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 714947-45-2), with molecular formula C24H24N6O3S and molecular weight 476.16 g/mol. IUPAC: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[benzyl(methyl)amino]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.3833 indicates that 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 7 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-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 714947-45-2.
What is the molecular formula of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is C24H24N6O3S.
What is the molecular weight of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 476.16 g/mol.
Where can I buy 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-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 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(benzyl(methyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.