4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid
TL;DR: 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid (CAS 47593-50-0) is a chemical compound with molecular formula C22H18O6 and molecular weight 378.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-[(4-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
Also Known As: H2pbda, 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid, YSZC654, J2.790.623K, 4-[[4-[(4-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
| Molecular Formula | C22H18O6 |
|---|---|
| Molecular Weight | 378.11 g/mol |
| LogP | 4.241 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.11035 |
| Heavy Atoms | 28 |
| Complexity | 863.32697 |
Chemical Identifiers
| CAS Number | 47593-50-0 |
|---|---|
| SMILES | C1=CC(=CC=C1COC2=CC=C(C=C2)C(=O)O)COC3=CC=C(C=C3)C(=O)O |
Product Overview
4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid (CAS 47593-50-0), with molecular formula C22H18O6 and molecular weight 378.11 g/mol. IUPAC: 4-[[4-[(4-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid.
Chemical Property Profile of 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid
Property Insights of 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid
The XLogP value of 4.241 indicates that 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid. Following Lipinski's Rule of Five, 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid has 2 hydrogen bond donor(s) and 4 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 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid?
The CAS number of 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid is 47593-50-0.
What is the molecular formula of 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid?
The molecular formula of 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid is C22H18O6.
What is the molecular weight of 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid?
The molecular weight of 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid is 378.11 g/mol.
Where can I buy 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid?
You can request a quote for 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-((1,4-Phenylenebis(methylene))bis(oxy))dibenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.