![2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol structure](/static/products/3302/330200-64-1.webp)
2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol
TL;DR: 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol (CAS 330200-64-1) is a chemical compound with molecular formula C15H9N5O5S2 and molecular weight 403.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-nitrophenyl)-5,13-bis(sulfanylidene)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-7,11-dione
Also Known As: J1.065.252I, 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol, 5-(3-nitrophenyl)-2,8-disulfanyl-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol, 5-(3-nitrophenyl)-2,8-disulfanyl-5H-pyrimidino[5',4'-5,6]pyrano[2,3-d]pyrimidi ne-4,6-diol, 5-(3-Nitrophenyl)-2,8-dithioxo-1,2,8,9-tetrahydro-5H-pyrano[2,3-d:6,5-d ]dipyrimidine-4,6(3H,7H)-dione
| Molecular Formula | C15H9N5O5S2 |
|---|---|
| Molecular Weight | 403.00 g/mol |
| LogP | 2.37248 |
| Topological Polar Surface Area | 149.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.00452 |
| Heavy Atoms | 27 |
| Complexity | 1262.145 |
Chemical Identifiers
| CAS Number | 330200-64-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2C3=C(NC(=S)NC3=O)OC4=C2C(=O)NC(=S)N4 |
Product Overview
2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol (CAS 330200-64-1), with molecular formula C15H9N5O5S2 and molecular weight 403.00 g/mol. IUPAC: 9-(3-nitrophenyl)-5,13-bis(sulfanylidene)-2-oxa-4,6,12,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-7,11-dione.
Chemical Property Profile of 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol
Property Insights of 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol
The XLogP value of 2.37248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol. The TPSA of 149.67 Ų indicates high polarity, suggesting 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol has 4 hydrogen bond donor(s) and 7 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 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol?
The CAS number of 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol is 330200-64-1.
What is the molecular formula of 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol?
The molecular formula of 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol is C15H9N5O5S2.
What is the molecular weight of 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol?
The molecular weight of 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol is 403.00 g/mol.
Where can I buy 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol?
You can request a quote for 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,8-dimercapto-5-(3-nitrophenyl)-5H-pyrano[2,3-d:6,5-d']dipyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.