7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione (CAS 331675-32-2) is a chemical compound with molecular formula C16H17ClN4O4S and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-methylsulfanylpurine-2,6-dione
Also Known As: 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione, AB00667639-01, F0373-0648, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-methylsulfanylpurine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylsulfanyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H17ClN4O4S |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 1.2385 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.06592 |
| Heavy Atoms | 26 |
| Complexity | 1041.3148 |
Chemical Identifiers
| CAS Number | 331675-32-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SC)CC(COC3=CC=C(C=C3)Cl)O |
Product Overview
7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione (CAS 331675-32-2), with molecular formula C16H17ClN4O4S and molecular weight 396.07 g/mol. IUPAC: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-methylsulfanylpurine-2,6-dione.
Chemical Property Profile of 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.2385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione has 2 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 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 331675-32-2.
What is the molecular formula of 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is C16H17ClN4O4S.
What is the molecular weight of 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione is 396.07 g/mol.
Where can I buy 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-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-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-8-(methylthio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.