![Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate structure](/static/products/5164/516458-79-0.webp)
Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate
TL;DR: Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate (CAS 516458-79-0) is a chemical compound with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(4-hydroxypiperidine-1-carbothioyl)amino]phenyl]acetate
Also Known As: methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate, methyl 2-(4-(4-hydroxypiperidine-1-carbothioamido)phenyl)acetate, methyl 2-(4-{[(4-hydroxypiperidyl)thioxomethyl]amino}phenyl)acetate, methyl 2-[4-[(4-hydroxypiperidine-1-carbothioyl)amino]phenyl]acetate, METHYL 2-{4-[(4-HYDROXYPIPERIDINE-1-CARBOTHIOYL)AMINO]PHENYL}ACETATE
| Molecular Formula | C15H20N2O3S |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 1.5556 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.11948 |
| Heavy Atoms | 21 |
| Complexity | 496.1451 |
Chemical Identifiers
| CAS Number | 516458-79-0 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCC(CC2)O |
Product Overview
Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate (CAS 516458-79-0), with molecular formula C15H20N2O3S and molecular weight 308.12 g/mol. IUPAC: methyl 2-[4-[(4-hydroxypiperidine-1-carbothioyl)amino]phenyl]acetate.
Chemical Property Profile of Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate
Property Insights of Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate
The XLogP value of 1.5556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate. Following Lipinski's Rule of Five, Methyl (4-{[(4-hydroxypiperidin-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-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate?
The CAS number of Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate is 516458-79-0.
What is the molecular formula of Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate?
The molecular formula of Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate is C15H20N2O3S.
What is the molecular weight of Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate?
The molecular weight of Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate is 308.12 g/mol.
Where can I buy Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate?
You can request a quote for Methyl (4-{[(4-hydroxypiperidin-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-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-{[(4-hydroxypiperidin-1-yl)carbonothioyl]amino}phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.