RefChem:239514
TL;DR: RefChem:239514 (CAS 116763-38-3) is a chemical compound with molecular formula C11H14N4O3S2 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[[(2S)-1-oxo-1,3-dithiolan-2-yl]methyl]purine-2,6-dione
Also Known As: cis-7-(1,3-Dithiolan-2-ylmethyl)theophylline-1S-oxide, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithiolan-2-ylmethyl)-, S-oxide, cis-, cis-3,7-Dihydro-1,3-dimethyl-7-(1,3-dithiolan-2-ylmethyl)-1H-purine-2,6-dione S-oxide, 1,3-dimethyl-7-[[(2S)-1-oxo-1,3-dithiolan-2-yl]methyl]purine-2,6-dione, 1,3-Dimethyl-7-[(1-oxo-1,3lambda~4~-dithiolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C11H14N4O3S2 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | -0.7447 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.05072 |
| Heavy Atoms | 20 |
| Complexity | 819.4082 |
Chemical Identifiers
| CAS Number | 116763-38-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H]3SCCS3=O |
Product Overview
RefChem:239514 (CAS 116763-38-3), with molecular formula C11H14N4O3S2 and molecular weight 314.05 g/mol. IUPAC: 1,3-dimethyl-7-[[(2S)-1-oxo-1,3-dithiolan-2-yl]methyl]purine-2,6-dione.
Chemical Property Profile of RefChem:239514
Property Insights of RefChem:239514
The XLogP value of -0.7447 indicates that RefChem:239514 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239514. Following Lipinski's Rule of Five, RefChem:239514 has 0 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 RefChem:239514?
The CAS number of RefChem:239514 is 116763-38-3.
What is the molecular formula of RefChem:239514?
The molecular formula of RefChem:239514 is C11H14N4O3S2.
What is the molecular weight of RefChem:239514?
The molecular weight of RefChem:239514 is 314.05 g/mol.
Where can I buy RefChem:239514?
You can request a quote for RefChem:239514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239514?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.