磷苯妥英
TL;DR: 磷苯妥英 (CAS 93390-81-9) is a chemical compound with molecular formula C16H15N2O6P and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷苯妥英
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl dihydrogen phosphate
Also Known As: Fosphenytoin, Cerebyx, Fosfenitoina, Fosphenytoine, Fosphenytoinum
| Molecular Formula | C16H15N2O6P |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.06677 |
| Heavy Atoms | 25 |
| Complexity | 547.0 |
| Melting Point | 173-176.5 °C |
| Solubility | Mol wt: 406.24. White crystals as the dihydrate from water-ethanol-acetone, mp 220 °C (softens). pH of a saturated aqueous solution: approx 9. Solubility at 25 °C (mg/mL): 142 in water /Disodium salt/ |
Chemical Identifiers
| CAS Number | 93390-81-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)(O)O)C3=CC=CC=C3 |
| InChIKey | XWLUWCNOOVRFPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷苯妥英 (CAS 93390-81-9), with molecular formula C16H15N2O6P and molecular weight 362.07 g/mol. IUPAC: (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl dihydrogen phosphate.
Chemical Property Profile of 磷苯妥英
Property Insights of 磷苯妥英
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 磷苯妥英. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 磷苯妥英. Following Lipinski's Rule of Five, 磷苯妥英 has 3 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 磷苯妥英?
The CAS number of 磷苯妥英 is 93390-81-9.
What is the molecular formula of 磷苯妥英?
The molecular formula of 磷苯妥英 is C16H15N2O6P.
What is the molecular weight of 磷苯妥英?
The molecular weight of 磷苯妥英 is 362.07 g/mol.
Where can I buy 磷苯妥英?
You can request a quote for 磷苯妥英 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷苯妥英?
Yes, KEHONG BIO provides custom synthesis services for 磷苯妥英 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.