RefChem:380944
TL;DR: RefChem:380944 (CAS 41829-16-7) is a chemical compound with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-2',4'-dione
Also Known As: Spiro(7H-benzo(de)quinoline-7,4'-imidazolidine)-2',5'-dione, 1,2,3,8,9,9a-hexahydro-5,6-dimethoxy-1-methyl-, trans-, trans-1,2,3,8,9,9a-Hexahydro-5,6-dimethoxy-1-methyl-spiro(7H-benzo[de]quinoline-7,4'-imidazolidine)-2',5'-dione, 5,6-Dimethoxy-1-methyl-1,2,3,8,9,9a-hexahydrospiro[benzo[de]quinoline-7,4'-imidazole]-2',5'-diol, 5,6-dimethoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-2',4'-dione, RefChem:380944
| Molecular Formula | C17H21N3O4 |
|---|---|
| Molecular Weight | 331.15 g/mol |
| LogP | 1.0613 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.1532 |
| Heavy Atoms | 24 |
| Complexity | 747.8415 |
Chemical Identifiers
| CAS Number | 41829-16-7 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CCC34C(=O)NC(=O)N4)OC)OC |
Product Overview
RefChem:380944 (CAS 41829-16-7), with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol. IUPAC: 5,6-dimethoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-2',4'-dione.
Chemical Property Profile of RefChem:380944
Property Insights of RefChem:380944
The XLogP value of 1.0613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:380944. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:380944. Following Lipinski's Rule of Five, RefChem:380944 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 RefChem:380944?
The CAS number of RefChem:380944 is 41829-16-7.
What is the molecular formula of RefChem:380944?
The molecular formula of RefChem:380944 is C17H21N3O4.
What is the molecular weight of RefChem:380944?
The molecular weight of RefChem:380944 is 331.15 g/mol.
Where can I buy RefChem:380944?
You can request a quote for RefChem:380944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:380944?
Yes, KEHONG BIO provides custom synthesis services for RefChem:380944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.