7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 377052-77-2) is a chemical compound with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(2-methylprop-2-enylsulfanyl)-7-prop-2-enylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5732017:001, BAS 03301914, 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione, AB00433095-03, F1167-0032
| Molecular Formula | C13H16N4O2S |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.0994 |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 377052-77-2 |
|---|---|
| SMILES | CC(=C)CSC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C |
| InChIKey | IYIAOSWWUNXCDW-UHFFFAOYSA-N |
Product Overview
7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione (CAS 377052-77-2), with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol. IUPAC: 3-methyl-8-(2-methylprop-2-enylsulfanyl)-7-prop-2-enylpurine-2,6-dione.
Chemical Property Profile of 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 4 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-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione is 377052-77-2.
What is the molecular formula of 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione is C13H16N4O2S.
What is the molecular weight of 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione is 292.10 g/mol.
Where can I buy 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-allyl-3-methyl-8-((2-methylallyl)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-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-allyl-3-methyl-8-((2-methylallyl)thio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.