3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid
TL;DR: 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid (CAS 86321-33-7) is a chemical compound with molecular formula C10H12O7S and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxy-4-sulfooxyphenyl)propanoic acid
Also Known As: Dihydroferulic acid 4-sulfate, 3-[3-methoxy-4-(sulfooxy)phenyl]propanoic acid, DihydroFerulic_Acid4O_Sulfate, Dihydro Ferulic Acid 4-O-Sulfate Sodium Salt, Dihydroferulic acid 4-O-sulfate
| Molecular Formula | C10H12O7S |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.03036 |
| Heavy Atoms | 18 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 86321-33-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CCC(=O)O)OS(=O)(=O)O |
| InChIKey | UMCDODPBPQMWQP-UHFFFAOYSA-N |
Product Overview
3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid (CAS 86321-33-7), with molecular formula C10H12O7S and molecular weight 276.03 g/mol. IUPAC: 3-(3-methoxy-4-sulfooxyphenyl)propanoic acid.
Chemical Property Profile of 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid
Property Insights of 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid. Following Lipinski's Rule of Five, 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic 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-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid?
The CAS number of 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid is 86321-33-7.
What is the molecular formula of 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid?
The molecular formula of 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid is C10H12O7S.
What is the molecular weight of 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid?
The molecular weight of 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid is 276.03 g/mol.
Where can I buy 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid?
You can request a quote for 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methoxy-4-(sulfooxy)phenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.