Methyl 4-amino-5-thiocyanato-o-anisate
TL;DR: Methyl 4-amino-5-thiocyanato-o-anisate (CAS 59168-56-8) is a chemical compound with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-2-methoxy-5-thiocyanatobenzoate
Also Known As: methyl 4-amino-2-methoxy-5-thiocyanatobenzoate, Methyl 4-amino-2-methoxy-5-thiocyanobenzoate, Methyl 4-amino-5-thiocyanato-o-anisate, Amisulpride Impurity 38, Amisulpride Impurity 56
| Molecular Formula | C10H10N2O3S |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.04121 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 59168-56-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)OC)SC#N)N |
| InChIKey | IRGMWPMUTWZIIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-amino-5-thiocyanato-o-anisate (CAS 59168-56-8), with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol. IUPAC: methyl 4-amino-2-methoxy-5-thiocyanatobenzoate.
Chemical Property Profile of Methyl 4-amino-5-thiocyanato-o-anisate
Property Insights of Methyl 4-amino-5-thiocyanato-o-anisate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-5-thiocyanato-o-anisate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-amino-5-thiocyanato-o-anisate. Following Lipinski's Rule of Five, Methyl 4-amino-5-thiocyanato-o-anisate has 1 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 Methyl 4-amino-5-thiocyanato-o-anisate?
The CAS number of Methyl 4-amino-5-thiocyanato-o-anisate is 59168-56-8.
What is the molecular formula of Methyl 4-amino-5-thiocyanato-o-anisate?
The molecular formula of Methyl 4-amino-5-thiocyanato-o-anisate is C10H10N2O3S.
What is the molecular weight of Methyl 4-amino-5-thiocyanato-o-anisate?
The molecular weight of Methyl 4-amino-5-thiocyanato-o-anisate is 238.04 g/mol.
Where can I buy Methyl 4-amino-5-thiocyanato-o-anisate?
You can request a quote for Methyl 4-amino-5-thiocyanato-o-anisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-5-thiocyanato-o-anisate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-5-thiocyanato-o-anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.