![Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate structure](/static/products/1008/1008577-15-8.webp)
Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate
TL;DR: Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate (CAS 1008577-15-8) is a chemical compound with molecular formula C20H25N3O6 and molecular weight 403.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: AB00488496-08, dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate, dimethyl 5-(2-(3-oxodecahydroquinoxalin-2-yl)acetamido)isophthalate, dimethyl 5-{[(3-oxodecahydroquinoxalin-2-yl)acetyl]amino}benzene-1,3-dicarboxylate, DIMETHYL 5-{[2-(3-OXODECAHYDRO-2-QUINOXALINYL)ACETYL]AMINO}ISOPHTHALATE
| Molecular Formula | C20H25N3O6 |
|---|---|
| Molecular Weight | 403.17 g/mol |
| LogP | 0.9876 |
| Topological Polar Surface Area | 122.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.17435 |
| Heavy Atoms | 29 |
| Complexity | 790.18463 |
Chemical Identifiers
| CAS Number | 1008577-15-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NC3CCCCC3N2)C(=O)OC |
Product Overview
Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate (CAS 1008577-15-8), with molecular formula C20H25N3O6 and molecular weight 403.17 g/mol. IUPAC: dimethyl 5-[[2-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate
Property Insights of Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate
The XLogP value of 0.9876 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate. The TPSA of 122.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate has 3 hydrogen bond donor(s) and 7 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 Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate?
The CAS number of Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate is 1008577-15-8.
What is the molecular formula of Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate?
The molecular formula of Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate is C20H25N3O6.
What is the molecular weight of Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate?
The molecular weight of Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate is 403.17 g/mol.
Where can I buy Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate?
You can request a quote for Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[(3-oxodecahydro-2-quinoxalinyl)acetyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.