![Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate structure](/static/products/1009/1009155-76-3.webp)
Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate
TL;DR: Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate (CAS 1009155-76-3) is a chemical compound with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetate
Also Known As: methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate, methyl 2-(1-((3-methoxyphenyl)carbamothioyl)-3-oxodecahydroquinoxalin-2-yl)acetate, methyl 2-(2-{[(3-methoxyphenyl)amino]thioxomethyl}-4-oxo-2,5-diazabicyclo[4.4. 0]dec-3-yl)acetate, methyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetate
| Molecular Formula | C19H25N3O4S |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 2.0667 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.1566 |
| Heavy Atoms | 27 |
| Complexity | 726.66125 |
Chemical Identifiers
| CAS Number | 1009155-76-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=S)N2C3CCCCC3NC(=O)C2CC(=O)OC |
Product Overview
Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate (CAS 1009155-76-3), with molecular formula C19H25N3O4S and molecular weight 391.16 g/mol. IUPAC: methyl 2-[1-[(3-methoxyphenyl)carbamothioyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetate.
Chemical Property Profile of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate
Property Insights of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate
The XLogP value of 2.0667 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate. Following Lipinski's Rule of Five, Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate has 2 hydrogen bond donor(s) and 5 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 {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate?
The CAS number of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate is 1009155-76-3.
What is the molecular formula of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate?
The molecular formula of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate is C19H25N3O4S.
What is the molecular weight of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate?
The molecular weight of Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate is 391.16 g/mol.
Where can I buy Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate?
You can request a quote for Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-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 {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {1-[(3-methoxyphenyl)carbamothioyl]-3-oxodecahydroquinoxalin-2-yl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.