![Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate structure](/static/products/7082/708282-89-7.webp)
Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate
TL;DR: Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate (CAS 708282-89-7) is a chemical compound with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzoate
Also Known As: methyl 4-(4-carbamoylpiperidine-1-carbothioamido)benzoate, methyl 4-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzoate, methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate, methyl 4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}benzoate, methyl 4-({[4-(aminocarbonyl)-1-piperidinyl]carbonothioyl}amino)benzoate
| Molecular Formula | C15H19N3O3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 1.3673 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.11472 |
| Heavy Atoms | 22 |
| Complexity | 565.9003 |
Chemical Identifiers
| CAS Number | 708282-89-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N |
Product Overview
Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate (CAS 708282-89-7), with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol. IUPAC: methyl 4-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzoate.
Chemical Property Profile of Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate
Property Insights of Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate
The XLogP value of 1.3673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate 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 Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate?
The CAS number of Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate is 708282-89-7.
What is the molecular formula of Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate?
The molecular formula of Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate is C15H19N3O3S.
What is the molecular weight of Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate?
The molecular weight of Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate is 321.11 g/mol.
Where can I buy Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate?
You can request a quote for Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}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-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(4-carbamoylpiperidyl)thioxomethyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.