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Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate
TL;DR: Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate (CAS 1008482-51-6) is a chemical compound with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate
Also Known As: methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate, methyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate, methyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate, methyl 2-(3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl)acetate, (3-Oxo-1-phenylthiocarbamoyl-piperazin-2-yl)-acetic acid methyl ester
| Molecular Formula | C14H17N3O3S |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 0.7469 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.09906 |
| Heavy Atoms | 21 |
| Complexity | 535.5256 |
Chemical Identifiers
| CAS Number | 1008482-51-6 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2 |
Product Overview
Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate (CAS 1008482-51-6), with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol. IUPAC: methyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate.
Chemical Property Profile of Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate
Property Insights of Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate
The XLogP value of 0.7469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate. Following Lipinski's Rule of Five, Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}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 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate?
The CAS number of Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate is 1008482-51-6.
What is the molecular formula of Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate?
The molecular formula of Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate is C14H17N3O3S.
What is the molecular weight of Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate?
The molecular weight of Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate is 307.10 g/mol.
Where can I buy Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate?
You can request a quote for Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.