7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 442865-17-0) is a chemical compound with molecular formula C19H23N5O3S and molecular weight 401.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-3-methyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
Also Known As: BAS 04914763, UPCMLD0ENAT5835029:001, 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione, AB00406281-04, AB00406281-10
| Molecular Formula | C19H23N5O3S |
|---|---|
| Molecular Weight | 401.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.15216 |
| Heavy Atoms | 28 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 442865-17-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCN3CCOCC3)CC4=CC=CC=C4 |
| InChIKey | AZINVVYTHGAJCE-UHFFFAOYSA-N |
Product Overview
7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 442865-17-0), with molecular formula C19H23N5O3S and molecular weight 401.15 g/mol. IUPAC: 7-benzyl-3-methyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione has 1 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-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione is 442865-17-0.
What is the molecular formula of 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione is C19H23N5O3S.
What is the molecular weight of 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione is 401.15 g/mol.
Where can I buy 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-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-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-benzyl-3-methyl-8-((2-morpholinoethyl)thio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.