2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid
TL;DR: 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid (CAS 313225-05-7) is a chemical compound with molecular formula C16H22O6 and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(carboxymethoxy)-4-hexylphenoxy]acetic acid
Also Known As: J1.370.043E, [4-Hexyl-m-phenylenebis(oxy)]bis(acetic acid), 2-[3-(carboxymethoxy)-4-hexylphenoxy]acetic acid, 2-[3-(carboxymethyloxy)-4-hexylphenoxy]acetic acid, 2,2'-((4-hexyl-1,3-phenylene)bis(oxy))diacetic acid
| Molecular Formula | C16H22O6 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 310.14163 |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 313225-05-7 |
|---|---|
| SMILES | CCCCCCC1=C(C=C(C=C1)OCC(=O)O)OCC(=O)O |
| InChIKey | OVUFMPMEHVAGDU-UHFFFAOYSA-N |
Product Overview
2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid (CAS 313225-05-7), with molecular formula C16H22O6 and molecular weight 310.14 g/mol. IUPAC: 2-[3-(carboxymethoxy)-4-hexylphenoxy]acetic acid.
Chemical Property Profile of 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid
Property Insights of 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid
The XLogP value of 4.0 indicates that 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid. Following Lipinski's Rule of Five, 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid has 2 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 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid?
The CAS number of 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid is 313225-05-7.
What is the molecular formula of 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid?
The molecular formula of 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid is C16H22O6.
What is the molecular weight of 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid?
The molecular weight of 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid is 310.14 g/mol.
Where can I buy 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid?
You can request a quote for 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-((4-Hexyl-1,3-phenylene)bis(oxy))diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.