7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442865-03-4) 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-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5733409:001, 7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00673607-01, F1191-0124, 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione
| Molecular Formula | C16H17ClN4O3S |
|---|---|
| Molecular Weight | 380.07 g/mol |
| LogP | 1.5995 |
| Topological Polar Surface Area | 92.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.07098 |
| Heavy Atoms | 25 |
| Complexity | 1024.3722 |
Chemical Identifiers
| CAS Number | 442865-03-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCO)CC3=CC=CC=C3Cl |
Product Overview
7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 442865-03-4), with molecular formula C16H17ClN4O3S and molecular weight 380.07 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-(3-hydroxypropylsulfanyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.5995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-chlorobenzyl)-8-((3-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-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-chlorobenzyl)-8-((3-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-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 442865-03-4.
What is the molecular formula of 7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is C16H17ClN4O3S.
What is the molecular weight of 7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 380.07 g/mol.
Where can I buy 7-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-chlorobenzyl)-8-((3-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-(2-chlorobenzyl)-8-((3-hydroxypropyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chlorobenzyl)-8-((3-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.