![Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate structure](/static/products/5164/516457-95-7.webp)
Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate
TL;DR: Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate (CAS 516457-95-7) is a chemical compound with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(4-carbamoylpiperidine-1-carbothioyl)amino]phenyl]acetate
Also Known As: methyl 2-(4-(4-carbamoylpiperidine-1-carbothioamido)phenyl)acetate, methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate, methyl 2-[4-[(4-carbamoylpiperidine-1-carbothioyl)amino]phenyl]acetate
| Molecular Formula | C16H21N3O3S |
|---|---|
| Molecular Weight | 335.13 g/mol |
| LogP | 1.2962 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.13037 |
| Heavy Atoms | 23 |
| Complexity | 580.73816 |
Chemical Identifiers
| CAS Number | 516457-95-7 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N |
Product Overview
Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate (CAS 516457-95-7), with molecular formula C16H21N3O3S and molecular weight 335.13 g/mol. IUPAC: methyl 2-[4-[(4-carbamoylpiperidine-1-carbothioyl)amino]phenyl]acetate.
Chemical Property Profile of Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate
Property Insights of Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate
The XLogP value of 1.2962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate. Following Lipinski's Rule of Five, Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate 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-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate?
The CAS number of Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate is 516457-95-7.
What is the molecular formula of Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate?
The molecular formula of Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate is C16H21N3O3S.
What is the molecular weight of Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate?
The molecular weight of Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate is 335.13 g/mol.
Where can I buy Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate?
You can request a quote for Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate 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-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.