BAS 11216090
TL;DR: BAS 11216090 (CAS 774562-72-0) is a chemical compound with molecular formula C22H24N2O7 and molecular weight 428.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: BAS 11216090, dimethyl 5-{[(7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinolin-4-yl)carbonyl]amino}benzene-1,3-dicarboxylate, dimethyl 5-(7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-4-carboxamido)isophthalate, dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(5-hydroxy-7,7-dimethyl-2-oxo-2,3,4,6,7,8-hexahydroquinolin-4-yl)carbonyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C22H24N2O7 |
|---|---|
| Molecular Weight | 428.16 g/mol |
| LogP | 1.9776 |
| Topological Polar Surface Area | 127.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.15836 |
| Heavy Atoms | 31 |
| Complexity | 988.4358 |
Chemical Identifiers
| CAS Number | 774562-72-0 |
|---|---|
| SMILES | CC1(CC2=C(C(CC(=O)N2)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C(=O)C1)C |
Product Overview
BAS 11216090 (CAS 774562-72-0), with molecular formula C22H24N2O7 and molecular weight 428.16 g/mol. IUPAC: dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of BAS 11216090
Property Insights of BAS 11216090
The XLogP value of 1.9776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11216090. The TPSA of 127.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11216090. Following Lipinski's Rule of Five, BAS 11216090 has 2 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 BAS 11216090?
The CAS number of BAS 11216090 is 774562-72-0.
What is the molecular formula of BAS 11216090?
The molecular formula of BAS 11216090 is C22H24N2O7.
What is the molecular weight of BAS 11216090?
The molecular weight of BAS 11216090 is 428.16 g/mol.
Where can I buy BAS 11216090?
You can request a quote for BAS 11216090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11216090?
Yes, KEHONG BIO provides custom synthesis services for BAS 11216090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.