9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol
TL;DR: 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol (CAS 158335-52-5) is a chemical compound with molecular formula C8H4N4O2S2 and molecular weight 251.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,9-dithia-5,6,12,13-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),6,13-tetraene-4,11-dione
Also Known As: NCIOpen2_003248, [?]-3,3-diol, 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol, YF 044P-D, YF-044P-D
| Molecular Formula | C8H4N4O2S2 |
|---|---|
| Molecular Weight | 251.98 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.97757 |
| Heavy Atoms | 16 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 158335-52-5 |
|---|---|
| SMILES | C1=NNC(=O)C2=C1SC3=C(S2)C=NNC3=O |
| InChIKey | PJDYCMFGNTUVHP-UHFFFAOYSA-N |
Product Overview
9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol (CAS 158335-52-5), with molecular formula C8H4N4O2S2 and molecular weight 251.98 g/mol. IUPAC: 2,9-dithia-5,6,12,13-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),6,13-tetraene-4,11-dione.
Chemical Property Profile of 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol
Property Insights of 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol
The XLogP value of -0.3 indicates that 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol. Following Lipinski's Rule of Five, 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol has 2 hydrogen bond donor(s) and 6 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 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol?
The CAS number of 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol is 158335-52-5.
What is the molecular formula of 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol?
The molecular formula of 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol is C8H4N4O2S2.
What is the molecular weight of 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol?
The molecular weight of 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol is 251.98 g/mol.
Where can I buy 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol?
You can request a quote for 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dithia-2,3,6,7-tetraaza-anthracene-1,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.