2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth
TL;DR: 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth (CAS 72195-13-2) is a chemical compound with molecular formula C8H7N3O3S and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-thia-7,11,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-6,10-dione
Also Known As: 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth, 2a-Hydroxy-2a,3-dihydro-1-thia-5,8,8b-triazaacenaphthylene-4,7(2H,5H)-dione, 4-Hydroxy-2-thia-7,11,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-6,10-dione
| Molecular Formula | C8H7N3O3S |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.02081 |
| Heavy Atoms | 15 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 72195-13-2 |
|---|---|
| SMILES | C1C(=O)NC2=CC(=O)N=C3N2C1(CS3)O |
| InChIKey | BFGFSNJHKQKTQE-UHFFFAOYSA-N |
Product Overview
2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth (CAS 72195-13-2), with molecular formula C8H7N3O3S and molecular weight 225.02 g/mol. IUPAC: 4-hydroxy-2-thia-7,11,12-triazatricyclo[6.3.1.04,12]dodeca-1(11),8-diene-6,10-dione.
Chemical Property Profile of 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth
Property Insights of 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth
The XLogP value of -1.4 indicates that 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth. Following Lipinski's Rule of Five, 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth has 2 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 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth?
The CAS number of 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth is 72195-13-2.
What is the molecular formula of 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth?
The molecular formula of 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth is C8H7N3O3S.
What is the molecular weight of 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth?
The molecular weight of 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth is 225.02 g/mol.
Where can I buy 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth?
You can request a quote for 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth?
Yes, KEHONG BIO provides custom synthesis services for 2a-hydroxy-2a,3-dihydro-2H,5H-1-thia-5,8,8b-triaza-acenaphth and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.