![7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione structure](/static/products/6850/685098-05-9.webp)
7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione (CAS 685098-05-9) is a chemical compound with molecular formula C19H20N6O4S and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione
Also Known As: 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione, F0570-0072, 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione, 7-(2-benzooxazol-2-ylsulfanylethyl)-3-methyl-8-morpholin-4-yl-purine-2,6-dione, 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-8-(morpholin-4-yl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C19H20N6O4S |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 1.1934 |
| Topological Polar Surface Area | 111.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.12668 |
| Heavy Atoms | 30 |
| Complexity | 1297.5385 |
Chemical Identifiers
| CAS Number | 685098-05-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCSC4=NC5=CC=CC=C5O4 |
Product Overview
7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione (CAS 685098-05-9), with molecular formula C19H20N6O4S and molecular weight 428.13 g/mol. IUPAC: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-8-morpholin-4-ylpurine-2,6-dione.
Chemical Property Profile of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.1934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione. The TPSA of 111.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 8 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-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione is 685098-05-9.
What is the molecular formula of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione is C19H20N6O4S.
What is the molecular weight of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione is 428.13 g/mol.
Where can I buy 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-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-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-8-morpholino-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.