4-Amino-5-(ethylthio)-o-anisic acid
TL;DR: 4-Amino-5-(ethylthio)-o-anisic acid (CAS 42015-36-1) is a chemical compound with molecular formula C10H13NO3S and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-ethylsulfanyl-2-methoxybenzoic acid
Also Known As: 4-Amino-5-(ethylthio)-2-methoxybenzoic acid, 2-Methoxy-4-amino-5-ethylthiobenzoic acid, Amisulpride Impurity 71, 4-Amino-5-(ethylthio)-o-anisic acid, EINECS 275-832-2
| Molecular Formula | C10H13NO3S |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 2.0876 |
| Topological Polar Surface Area | 72.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.06161 |
| Heavy Atoms | 15 |
| Complexity | 379.1754 |
Chemical Identifiers
| CAS Number | 42015-36-1 |
|---|---|
| SMILES | CCSC1=C(C=C(C(=C1)C(=O)O)OC)N |
Product Overview
4-Amino-5-(ethylthio)-o-anisic acid (CAS 42015-36-1), with molecular formula C10H13NO3S and molecular weight 227.06 g/mol. IUPAC: 4-amino-5-ethylsulfanyl-2-methoxybenzoic acid.
Chemical Property Profile of 4-Amino-5-(ethylthio)-o-anisic acid
Property Insights of 4-Amino-5-(ethylthio)-o-anisic acid
The XLogP value of 2.0876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-(ethylthio)-o-anisic acid. The TPSA of 72.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-(ethylthio)-o-anisic acid. Following Lipinski's Rule of Five, 4-Amino-5-(ethylthio)-o-anisic acid has 2 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 4-Amino-5-(ethylthio)-o-anisic acid?
The CAS number of 4-Amino-5-(ethylthio)-o-anisic acid is 42015-36-1.
What is the molecular formula of 4-Amino-5-(ethylthio)-o-anisic acid?
The molecular formula of 4-Amino-5-(ethylthio)-o-anisic acid is C10H13NO3S.
What is the molecular weight of 4-Amino-5-(ethylthio)-o-anisic acid?
The molecular weight of 4-Amino-5-(ethylthio)-o-anisic acid is 227.06 g/mol.
Where can I buy 4-Amino-5-(ethylthio)-o-anisic acid?
You can request a quote for 4-Amino-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 4-Amino-5-(ethylthio)-o-anisic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-(ethylthio)-o-anisic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.