1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one
TL;DR: 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one (CAS 14156-64-0) is a chemical compound with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-6-sulfinyl-7H-purin-2-one
Also Known As: 1,3-dimethyl-6-sulfinyl-7H-purin-2-one, 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one, 1,7-dimethyl-6-sulfinyl-1,3,6,7(9)-tetrahydro-purin-2-one, 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one #
| Molecular Formula | C7H8N4O2S |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.0368 |
| Heavy Atoms | 14 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 14156-64-0 |
|---|---|
| SMILES | CN1C2=C(C(=S=O)N(C1=O)C)NC=N2 |
| InChIKey | LHSJEJDALOWZHU-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one (CAS 14156-64-0), with molecular formula C7H8N4O2S and molecular weight 212.04 g/mol. IUPAC: 1,3-dimethyl-6-sulfinyl-7H-purin-2-one.
Chemical Property Profile of 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one
Property Insights of 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one. Following Lipinski's Rule of Five, 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one 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 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one?
The CAS number of 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one is 14156-64-0.
What is the molecular formula of 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one?
The molecular formula of 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one is C7H8N4O2S.
What is the molecular weight of 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one?
The molecular weight of 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one is 212.04 g/mol.
Where can I buy 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one?
You can request a quote for 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-6-sulfinyl-1,3,6,7-tetrahydro-2H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.