7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 313479-85-5) is a chemical compound with molecular formula C16H17ClN4O3S and molecular weight 380.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00619006, 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00131556-02, F0373-0883, 7-[(4-chlorophenyl)methyl]-8-[(2-hydroxypropyl)sulfanyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H17ClN4O3S |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 1.5979 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.07098 |
| Heavy Atoms | 25 |
| Complexity | 1020.76636 |
Chemical Identifiers
| CAS Number | 313479-85-5 |
|---|---|
| SMILES | CC(CSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C)O |
Product Overview
7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 313479-85-5), with molecular formula C16H17ClN4O3S and molecular weight 380.07 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-(2-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.5979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 5 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-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 313479-85-5.
What is the molecular formula of 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is C16H17ClN4O3S.
What is the molecular weight of 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 380.07 g/mol.
Where can I buy 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-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-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-chlorobenzyl)-8-((2-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.