1,3-Benzenedicarboxylic acid, 5-phenoxy-
TL;DR: 1,3-Benzenedicarboxylic acid, 5-phenoxy- (CAS 28023-55-4) is a chemical compound with molecular formula C14H10O5 and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenoxybenzene-1,3-dicarboxylic acid
Also Known As: 5-phenoxyisophthalic acid, 5-Phenoxyisophthalicacid, 1,3-Benzenedicarboxylic acid, 5-phenoxy-, 5-phenoxybenzene-1,3-dicarboxylic acid, 5-Phenoxy-1,3-benzenedicarboxylic acid
| Molecular Formula | C14H10O5 |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.05283 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 28023-55-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC(=CC(=C2)C(=O)O)C(=O)O |
| InChIKey | ZZMSWJDUUZUBNA-UHFFFAOYSA-N |
Product Overview
1,3-Benzenedicarboxylic acid, 5-phenoxy- (CAS 28023-55-4), with molecular formula C14H10O5 and molecular weight 258.05 g/mol. IUPAC: 5-phenoxybenzene-1,3-dicarboxylic acid.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 5-phenoxy-
Property Insights of 1,3-Benzenedicarboxylic acid, 5-phenoxy-
The XLogP value of 3.4 indicates that 1,3-Benzenedicarboxylic acid, 5-phenoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenedicarboxylic acid, 5-phenoxy-. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 5-phenoxy- has 2 hydrogen bond donor(s) and 5 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 1,3-Benzenedicarboxylic acid, 5-phenoxy-?
The CAS number of 1,3-Benzenedicarboxylic acid, 5-phenoxy- is 28023-55-4.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 5-phenoxy-?
The molecular formula of 1,3-Benzenedicarboxylic acid, 5-phenoxy- is C14H10O5.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 5-phenoxy-?
The molecular weight of 1,3-Benzenedicarboxylic acid, 5-phenoxy- is 258.05 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 5-phenoxy-?
You can request a quote for 1,3-Benzenedicarboxylic acid, 5-phenoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, 5-phenoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 5-phenoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.