5-(Ethylthio)-o-anisic acid
TL;DR: 5-(Ethylthio)-o-anisic acid (CAS 4816-23-3) is a chemical compound with molecular formula C10H12O3S and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethylsulfanyl-2-methoxybenzoic acid
Also Known As: 5- -o-anisicacid, 5-(Ethylthio)-o-anisic acid, 5-(Ethylthio)-2-methoxybenzoic acid, 5-ethylsulfanyl-2-methoxybenzoic acid, 2-Methoxy-5-ethylthiobenzoesaeure
| Molecular Formula | C10H12O3S |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.05072 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 4816-23-3 |
|---|---|
| SMILES | CCSC1=CC(=C(C=C1)OC)C(=O)O |
| InChIKey | ICHLZNKXBSZZON-UHFFFAOYSA-N |
Product Overview
5-(Ethylthio)-o-anisic acid (CAS 4816-23-3), with molecular formula C10H12O3S and molecular weight 212.05 g/mol. IUPAC: 5-ethylsulfanyl-2-methoxybenzoic acid.
Chemical Property Profile of 5-(Ethylthio)-o-anisic acid
Property Insights of 5-(Ethylthio)-o-anisic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Ethylthio)-o-anisic acid. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Ethylthio)-o-anisic acid. Following Lipinski's Rule of Five, 5-(Ethylthio)-o-anisic acid has 1 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 5-(Ethylthio)-o-anisic acid?
The CAS number of 5-(Ethylthio)-o-anisic acid is 4816-23-3.
What is the molecular formula of 5-(Ethylthio)-o-anisic acid?
The molecular formula of 5-(Ethylthio)-o-anisic acid is C10H12O3S.
What is the molecular weight of 5-(Ethylthio)-o-anisic acid?
The molecular weight of 5-(Ethylthio)-o-anisic acid is 212.05 g/mol.
Where can I buy 5-(Ethylthio)-o-anisic acid?
You can request a quote for 5-(Ethylthio)-o-anisic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Ethylthio)-o-anisic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Ethylthio)-o-anisic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.