二氟尼柳磷酸酯
TL;DR: 二氟尼柳磷酸酯 (CAS 84958-45-2) is a chemical compound with molecular formula C13H9F2O6P and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氟尼柳磷酸酯
5-(2,4-difluorophenyl)-2-phosphonooxybenzoic acid
Also Known As: Diflunisal Phosphate, 5-(2,4-difluorophenyl)-2-phosphonooxybenzoic acid, 2',4'-Difluoro-4-(phosphonooxy)-, [1,1'-Biphenyl]-3-carboxylicacid, 2',4'-difluoro-4-(phosphonooxy)-, 5-(2,4-difluorophenyl)-2-phosphonooxy-benzoic Acid
| Molecular Formula | C13H9F2O6P |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 2.8015 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.01047 |
| Heavy Atoms | 22 |
| Complexity | 786.0949 |
Chemical Identifiers
| CAS Number | 84958-45-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C=C(C=C2)F)F)C(=O)O)OP(=O)(O)O |
Product Overview
二氟尼柳磷酸酯 (CAS 84958-45-2), with molecular formula C13H9F2O6P and molecular weight 330.01 g/mol. IUPAC: 5-(2,4-difluorophenyl)-2-phosphonooxybenzoic acid.
Chemical Property Profile of 二氟尼柳磷酸酯
Property Insights of 二氟尼柳磷酸酯
The XLogP value of 2.8015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氟尼柳磷酸酯. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 二氟尼柳磷酸酯. Following Lipinski's Rule of Five, 二氟尼柳磷酸酯 has 3 hydrogen bond donor(s) and 3 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 二氟尼柳磷酸酯?
The CAS number of 二氟尼柳磷酸酯 is 84958-45-2.
What is the molecular formula of 二氟尼柳磷酸酯?
The molecular formula of 二氟尼柳磷酸酯 is C13H9F2O6P.
What is the molecular weight of 二氟尼柳磷酸酯?
The molecular weight of 二氟尼柳磷酸酯 is 330.01 g/mol.
Where can I buy 二氟尼柳磷酸酯?
You can request a quote for 二氟尼柳磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氟尼柳磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 二氟尼柳磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.