![7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/7149/714932-75-9.webp)
7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 714932-75-9) is a chemical compound with molecular formula C27H29N7O4S and molecular weight 547.20 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-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione
Also Known As: 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F1614-0306, 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione, 7-(3-benzoxazol-2-ylthiopropyl)-8-[4-(4-methoxyphenyl)piperazinyl]-3-methyl-1, 3,7-trihydropurine-2,6-dione
| Molecular Formula | C27H29N7O4S |
|---|---|
| Molecular Weight | 547.20 g/mol |
| LogP | 3.0821 |
| Topological Polar Surface Area | 114.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.2002 |
| Heavy Atoms | 39 |
| Complexity | 1696.5308 |
Chemical Identifiers
| CAS Number | 714932-75-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=C(C=C4)OC)CCCSC5=NC6=CC=CC=C6O5 |
Product Overview
7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 714932-75-9), with molecular formula C27H29N7O4S and molecular weight 547.20 g/mol. IUPAC: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.0821 indicates that 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-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 114.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 714932-75-9.
What is the molecular formula of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C27H29N7O4S.
What is the molecular weight of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 547.20 g/mol.
Where can I buy 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-8-(4-(4-methoxyphenyl)piperazin-1-yl)-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-(4-(4-methoxyphenyl)piperazin-1-yl)-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-(4-(4-methoxyphenyl)piperazin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.