FL4OQ9K5XD
TL;DR: FL4OQ9K5XD (CAS 6493-43-2) is a chemical compound with molecular formula C13H13N5OS2 and molecular weight 319.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one
Also Known As: Theophylline, 8-(2-pyridylmethyl)thio-6-thio-, 6-Thio-8-(2'-pyridylmethyl)thiotheophylline, Uric acid, 1,3-dimethyl-8-(2-pyridylmethyl)thio-6-thio-, 8-[(2-Pyridylmethyl)thio]-6-thiotheophylline, Theophylline, 8-[(2-pyridylmethyl)thio]-6-thio-
| Molecular Formula | C13H13N5OS2 |
|---|---|
| Molecular Weight | 319.06 g/mol |
| LogP | 2.01689 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.05615 |
| Heavy Atoms | 21 |
| Complexity | 909.9417 |
Chemical Identifiers
| CAS Number | 6493-43-2 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3=CC=CC=N3 |
Product Overview
FL4OQ9K5XD (CAS 6493-43-2), with molecular formula C13H13N5OS2 and molecular weight 319.06 g/mol. IUPAC: 1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one.
Chemical Property Profile of FL4OQ9K5XD
Property Insights of FL4OQ9K5XD
The XLogP value of 2.01689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FL4OQ9K5XD. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for FL4OQ9K5XD. Following Lipinski's Rule of Five, FL4OQ9K5XD has 1 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 FL4OQ9K5XD?
The CAS number of FL4OQ9K5XD is 6493-43-2.
What is the molecular formula of FL4OQ9K5XD?
The molecular formula of FL4OQ9K5XD is C13H13N5OS2.
What is the molecular weight of FL4OQ9K5XD?
The molecular weight of FL4OQ9K5XD is 319.06 g/mol.
Where can I buy FL4OQ9K5XD?
You can request a quote for FL4OQ9K5XD directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FL4OQ9K5XD?
Yes, KEHONG BIO provides custom synthesis services for FL4OQ9K5XD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.