PBFI
TL;DR: PBFI (CAS 124549-11-7) is a chemical compound with molecular formula C46H46N2O16 and molecular weight 882.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-[16-[2-(2,4-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-5-methoxy-1-benzofuran-2-yl]benzene-1,3-dicarboxylic acid
Also Known As: PBFI, PBFI FREE ACID, PBFI FREE ACID, PBFI, ~80% (HPLC), 4-[6-[16-[2-(2,4-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-5-methoxy-1-benzofuran-2-yl]benzene-1,3-dicarboxylic acid
| Molecular Formula | C46H46N2O16 |
|---|---|
| Molecular Weight | 882.28 g/mol |
| LogP | 6.716 |
| Topological Polar Surface Area | 237.34 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 882.2847 |
| Heavy Atoms | 64 |
| Complexity | 2466.198 |
Chemical Identifiers
| CAS Number | 124549-11-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=C(O2)C3=C(C=C(C=C3)C(=O)O)C(=O)O)N4CCOCCOCCN(CCOCCOCC4)C5=C(C=C6C=C(OC6=C5)C7=C(C=C(C=C7)C(=O)O)C(=O)O)OC |
Product Overview
PBFI (CAS 124549-11-7), with molecular formula C46H46N2O16 and molecular weight 882.28 g/mol. IUPAC: 4-[6-[16-[2-(2,4-dicarboxyphenyl)-5-methoxy-1-benzofuran-6-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-5-methoxy-1-benzofuran-2-yl]benzene-1,3-dicarboxylic acid.
Chemical Property Profile of PBFI
Property Insights of PBFI
The XLogP value of 6.716 indicates that PBFI is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 237.34 Ų indicates high polarity, suggesting PBFI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PBFI has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PBFI?
The CAS number of PBFI is 124549-11-7.
What is the molecular formula of PBFI?
The molecular formula of PBFI is C46H46N2O16.
What is the molecular weight of PBFI?
The molecular weight of PBFI is 882.28 g/mol.
Where can I buy PBFI?
You can request a quote for PBFI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PBFI?
Yes, KEHONG BIO provides custom synthesis services for PBFI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.