![Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate structure](/static/products/7082/708246-17-7.webp)
Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate
TL;DR: Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate (CAS 708246-17-7) is a chemical compound with molecular formula C16H20N2O5S and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-hydroxypiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylate
Also Known As: methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate, dimethyl 5-(4-hydroxypiperidine-1-carbothioamido)isophthalate, DIMETHYL 5-{[(4-HYDROXYPIPERIDINO)CARBOTHIOYL]AMINO}ISOPHTHALATE, dimethyl 5-[(4-hydroxypiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C16H20N2O5S |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 1.4133 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.10928 |
| Heavy Atoms | 24 |
| Complexity | 607.105 |
Chemical Identifiers
| CAS Number | 708246-17-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCC(CC2)O)C(=O)OC |
Product Overview
Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate (CAS 708246-17-7), with molecular formula C16H20N2O5S and molecular weight 352.11 g/mol. IUPAC: dimethyl 5-[(4-hydroxypiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate
Property Insights of Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate
The XLogP value of 1.4133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate. Following Lipinski's Rule of Five, Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate 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 Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate?
The CAS number of Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate is 708246-17-7.
What is the molecular formula of Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate?
The molecular formula of Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate is C16H20N2O5S.
What is the molecular weight of Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate?
The molecular weight of Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate is 352.11 g/mol.
Where can I buy Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate?
You can request a quote for Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-{[(4-hydroxypiperidyl)thioxomethyl]amino}-3-(methoxycarbonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.