![Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate structure](/static/products/830/830353-69-0.png)
Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate
TL;DR: Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate (CAS 830353-69-0) is a chemical compound with molecular formula C17H22N2O5S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate, dimethyl 2-({[3-(hydroxymethyl)piperidin-1-yl]carbonothioyl}amino)benzene-1,4-dicarboxylate, dimethyl 2-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate, dimethyl 2-(3-(hydroxymethyl)piperidine-1-carbothioamido)terephthalate, DIMETHYL 2-({[3-(HYDROXYMETHYL)PIPERIDINO]CARBOTHIOYL}AMINO)TEREPHTHALATE
| Molecular Formula | C17H22N2O5S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 1.6609 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.12494 |
| Heavy Atoms | 25 |
| Complexity | 664.43835 |
Chemical Identifiers
| CAS Number | 830353-69-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCCC(C2)CO |
Product Overview
Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate (CAS 830353-69-0), with molecular formula C17H22N2O5S and molecular weight 366.12 g/mol. IUPAC: dimethyl 2-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate
Property Insights of Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate
The XLogP value of 1.6609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate has 2 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 Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate?
The CAS number of Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate is 830353-69-0.
What is the molecular formula of Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate?
The molecular formula of Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate is C17H22N2O5S.
What is the molecular weight of Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate?
The molecular weight of Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate is 366.12 g/mol.
Where can I buy Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate?
You can request a quote for Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-({[3-(hydroxymethyl)-1-piperidinyl]carbonothioyl}amino)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.