Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate
TL;DR: Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate (CAS 895884-90-9) is a chemical compound with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate
Also Known As: AO-022/43453349, methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate, methyl 4,5-dimethoxy-2-[(1-piperidinylcarbothioyl)amino]benzoate, 4,5-Dimethoxy-2-[(piperidine-1-carbothioyl)-amino]-benzoic acid methyl ester, methyl 4,5-dimethoxy-2-(piperidine-1-carbothioamido)benzoate
| Molecular Formula | C16H22N2O4S |
|---|---|
| Molecular Weight | 338.13 g/mol |
| LogP | 2.6731 |
| Topological Polar Surface Area | 60.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.13004 |
| Heavy Atoms | 23 |
| Complexity | 585.6881 |
Chemical Identifiers
| CAS Number | 895884-90-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCCC2)OC |
Product Overview
Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate (CAS 895884-90-9), with molecular formula C16H22N2O4S and molecular weight 338.13 g/mol. IUPAC: methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate.
Chemical Property Profile of Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate
Property Insights of Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate
The XLogP value of 2.6731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate. The TPSA of 60.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate. Following Lipinski's Rule of Five, Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate has 1 hydrogen bond donor(s) and 5 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 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate?
The CAS number of Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate is 895884-90-9.
What is the molecular formula of Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate?
The molecular formula of Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate is C16H22N2O4S.
What is the molecular weight of Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate?
The molecular weight of Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate is 338.13 g/mol.
Where can I buy Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate?
You can request a quote for Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4,5-dimethoxy-2-(piperidine-1-carbothioylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.