3-(4-sulfooxyphenoxy)benzoic Acid
TL;DR: 3-(4-sulfooxyphenoxy)benzoic Acid (CAS 58218-91-0) is a chemical compound with molecular formula C13H10O7S and molecular weight 310.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-sulfooxyphenoxy)benzoic acid
Also Known As: 3-(4-sulfooxyphenoxy)benzoic Acid, 3-[4-(sulfooxy)phenoxy]benzoic acid, Benzoic acid, 3-(4-(sulfooxy)phenoxy)-, 5-Brom-furan-2-carbonsaeure-anilid, 3-(4-(Sulfooxy)phenoxy)benzoic acid
| Molecular Formula | C13H10O7S |
|---|---|
| Molecular Weight | 310.01 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.0147 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 58218-91-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)O |
| InChIKey | VQSRFYGVVRDCSY-UHFFFAOYSA-N |
Product Overview
3-(4-sulfooxyphenoxy)benzoic Acid (CAS 58218-91-0), with molecular formula C13H10O7S and molecular weight 310.01 g/mol. IUPAC: 3-(4-sulfooxyphenoxy)benzoic acid.
Chemical Property Profile of 3-(4-sulfooxyphenoxy)benzoic Acid
Property Insights of 3-(4-sulfooxyphenoxy)benzoic Acid
The XLogP value of 3.0 indicates that 3-(4-sulfooxyphenoxy)benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-sulfooxyphenoxy)benzoic Acid. Following Lipinski's Rule of Five, 3-(4-sulfooxyphenoxy)benzoic Acid has 2 hydrogen bond donor(s) and 7 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 3-(4-sulfooxyphenoxy)benzoic Acid?
The CAS number of 3-(4-sulfooxyphenoxy)benzoic Acid is 58218-91-0.
What is the molecular formula of 3-(4-sulfooxyphenoxy)benzoic Acid?
The molecular formula of 3-(4-sulfooxyphenoxy)benzoic Acid is C13H10O7S.
What is the molecular weight of 3-(4-sulfooxyphenoxy)benzoic Acid?
The molecular weight of 3-(4-sulfooxyphenoxy)benzoic Acid is 310.01 g/mol.
Where can I buy 3-(4-sulfooxyphenoxy)benzoic Acid?
You can request a quote for 3-(4-sulfooxyphenoxy)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-sulfooxyphenoxy)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-sulfooxyphenoxy)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.