9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione
TL;DR: 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione (CAS 7501-78-2) is a chemical compound with molecular formula C11H16N4O2S and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione
Also Known As: 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione, 9-Butyl-1,3-dimethyl-8-sulfanylidene-3,7,8,9-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C11H16N4O2S |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 0.89639 |
| Topological Polar Surface Area | 64.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0994 |
| Heavy Atoms | 18 |
| Complexity | 762.15704 |
Chemical Identifiers
| CAS Number | 7501-78-2 |
|---|---|
| SMILES | CCCCN1C2=C(C(=O)N(C(=O)N2C)C)NC1=S |
Product Overview
9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione (CAS 7501-78-2), with molecular formula C11H16N4O2S and molecular weight 268.10 g/mol. IUPAC: 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione.
Chemical Property Profile of 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione
Property Insights of 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione
The XLogP value of 0.89639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione. The TPSA of 64.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione has 1 hydrogen bond donor(s) and 3 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 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione?
The CAS number of 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione is 7501-78-2.
What is the molecular formula of 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione?
The molecular formula of 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione is C11H16N4O2S.
What is the molecular weight of 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione?
The molecular weight of 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione is 268.10 g/mol.
Where can I buy 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione?
You can request a quote for 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 9-butyl-1,3-dimethyl-8-sulfanylidene-7H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.