E 4701
TL;DR: E 4701 (CAS 107580-00-7) is a chemical compound with molecular formula C9H8N2O8 and molecular weight 272.02808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-hydroxy-6-nitro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl nitrate
Also Known As: 2,4-Pyrimidinediol, 6-chloro-, 8-Hydroxy-2-nitromethyl-7-nitro-1,4-benzodioxane, E 4701, E-4701, 8-hydroxy-2-nitratomethyl-7-nitro-1,4-benzodioxane
Technical Specifications
| Molecular Formula | C9H8N2O8 |
| Molecular Weight | 272.02808 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.02808 Da |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
| SMILES | C1C(OC2=C(O1)C=CC(=C2O)[N+](=O)[O-])CO[N+](=O)[O-] |
| InChIKey | ILSCSWSCKLXHMV-UHFFFAOYSA-N |
Chemical Property Profile of E 4701
Property Insights of E 4701
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E 4701. The TPSA of 140.0 Ų indicates high polarity, suggesting E 4701 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, E 4701 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of E 4701?
The CAS number of E 4701 is 107580-00-7.
What is the molecular formula of E 4701?
The molecular formula of E 4701 is C9H8N2O8.
What is the molecular weight of E 4701?
The molecular weight of E 4701 is 272.02808 g/mol.
Where can I buy E 4701?
You can request a quote for E 4701 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for E 4701?
Yes, CoreyChem provides custom synthesis services for E 4701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.