CAS 88887-99-4 - C13H19F3N2O9P2
TL;DR: CAS 88887-99-4 - C13H19F3N2O9P2 (CAS 88887-99-4) is a chemical compound with molecular formula C13H19F3N2O9P2 and molecular weight 466.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-[hydroxy(phosphonooxy)phosphoryl]oxy-2,6-dimethylocta-2,6-dienyl] 2-diazo-3,3,3-trifluoropropanoate
Also Known As: (1E)-2-Diazonio-3,3,3-trifluoro-1-{[(2E,6E)-8-{[hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyl-2,6-octadien-1-yl]oxy}-1-propen-1-olate
| Molecular Formula | C13H19F3N2O9P2 |
|---|---|
| Molecular Weight | 466.05 g/mol |
| LogP | 2.6618 |
| Topological Polar Surface Area | 175.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 466.0518 |
| Heavy Atoms | 29 |
| Complexity | 797.8418 |
Chemical Identifiers
| CAS Number | 88887-99-4 |
|---|---|
| SMILES | CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)COC(=O)C(=[N+]=[N-])C(F)(F)F |
Product Overview
CAS 88887-99-4 - C13H19F3N2O9P2 (CAS 88887-99-4), with molecular formula C13H19F3N2O9P2 and molecular weight 466.05 g/mol. IUPAC: [8-[hydroxy(phosphonooxy)phosphoryl]oxy-2,6-dimethylocta-2,6-dienyl] 2-diazo-3,3,3-trifluoropropanoate.
Chemical Property Profile of CAS 88887-99-4 - C13H19F3N2O9P2
Property Insights of CAS 88887-99-4 - C13H19F3N2O9P2
The XLogP value of 2.6618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 88887-99-4 - C13H19F3N2O9P2. The TPSA of 175.99 Ų indicates high polarity, suggesting CAS 88887-99-4 - C13H19F3N2O9P2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CAS 88887-99-4 - C13H19F3N2O9P2 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 CAS 88887-99-4 - C13H19F3N2O9P2?
The CAS number of CAS 88887-99-4 - C13H19F3N2O9P2 is 88887-99-4.
What is the molecular formula of CAS 88887-99-4 - C13H19F3N2O9P2?
The molecular formula of CAS 88887-99-4 - C13H19F3N2O9P2 is C13H19F3N2O9P2.
What is the molecular weight of CAS 88887-99-4 - C13H19F3N2O9P2?
The molecular weight of CAS 88887-99-4 - C13H19F3N2O9P2 is 466.05 g/mol.
Where can I buy CAS 88887-99-4 - C13H19F3N2O9P2?
You can request a quote for CAS 88887-99-4 - C13H19F3N2O9P2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 88887-99-4 - C13H19F3N2O9P2?
Yes, KEHONG BIO provides custom synthesis services for CAS 88887-99-4 - C13H19F3N2O9P2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.