![Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate structure](/static/products/1008/1008940-52-0.webp)
Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate
TL;DR: Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate (CAS 1008940-52-0) is a chemical compound with molecular formula C18H23N3O3S and molecular weight 361.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-oxo-1-(phenylcarbamothioyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetate
Also Known As: methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate, methyl 2-(3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl)acetate, methyl 2-{4-oxo-2-[(phenylamino)thioxomethyl]-2,5-diazabicyclo[4.4.0]dec-3-yl} acetate, methyl 2-[3-oxo-1-(phenylcarbamothioyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetate
| Molecular Formula | C18H23N3O3S |
|---|---|
| Molecular Weight | 361.15 g/mol |
| LogP | 2.0581 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.14603 |
| Heavy Atoms | 25 |
| Complexity | 652.2262 |
Chemical Identifiers
| CAS Number | 1008940-52-0 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NC2CCCCC2N1C(=S)NC3=CC=CC=C3 |
Product Overview
Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate (CAS 1008940-52-0), with molecular formula C18H23N3O3S and molecular weight 361.15 g/mol. IUPAC: methyl 2-[3-oxo-1-(phenylcarbamothioyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetate.
Chemical Property Profile of Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate
Property Insights of Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate
The XLogP value of 2.0581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate. Following Lipinski's Rule of Five, Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-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 [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate?
The CAS number of Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate is 1008940-52-0.
What is the molecular formula of Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate?
The molecular formula of Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate is C18H23N3O3S.
What is the molecular weight of Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate?
The molecular weight of Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate is 361.15 g/mol.
Where can I buy Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate?
You can request a quote for Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-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 [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [3-oxo-1-(phenylcarbamothioyl)decahydroquinoxalin-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.