RefChem:380940
TL;DR: RefChem:380940 (CAS 43166-19-4) is a chemical compound with molecular formula C21H24ClN3O7 and molecular weight 465.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'-acetyl-6-acetyloxy-1-methyl-2',4'-dioxospiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-5-yl) acetate;hydrochloride
Also Known As: Spiro(7H-benzo(de)quinoline-7,4'-imidazolidine)-2',5'-dione, 1,2,3,8,9,9a-hexahydro-3'-acetyl-5,6-dihydroxy-1-methyl-, diacetate, monohydrochloride, trans-, trans-1,2,3,8,9,9a-Hexahydro-3'-acetyl-5,6-dihydroxy-1-methyl-spiro(7H-benzo[de]quinoline-7,4'-imidazolidine)-2',5'-dione diacetate hcl, (1'-acetyl-6-acetyloxy-1-methyl-2',4'-dioxospiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-5-yl) acetate hydrochloride, 3'-Acetyl-5'-hydroxy-1-methyl-2'-oxo-1,2,2',3,3',8,9,9a-octahydrospiro[benzo[de]quinoline-7,4'-imidazole]-5,6-diyl diacetate--hydrogen chloride (1/1), RefChem:380940
| Molecular Formula | C21H24ClN3O7 |
|---|---|
| Molecular Weight | 465.13 g/mol |
| LogP | 1.5754 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.13028 |
| Heavy Atoms | 32 |
| Complexity | 845.0 |
Chemical Identifiers
| CAS Number | 43166-19-4 |
|---|---|
| SMILES | CC(=O)N1C(=O)NC(=O)C12CCC3C4=C2C(=C(C=C4CCN3C)OC(=O)C)OC(=O)C.Cl |
| InChIKey | WOZPJVHEGNBPOI-UHFFFAOYSA-N |
Product Overview
RefChem:380940 (CAS 43166-19-4), with molecular formula C21H24ClN3O7 and molecular weight 465.13 g/mol. IUPAC: (1'-acetyl-6-acetyloxy-1-methyl-2',4'-dioxospiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,5'-imidazolidine]-5-yl) acetate;hydrochloride.
Chemical Property Profile of RefChem:380940
Property Insights of RefChem:380940
The XLogP value of 1.5754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:380940. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:380940. Following Lipinski's Rule of Five, RefChem:380940 has 2 hydrogen bond donor(s) and 8 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:380940?
The CAS number of RefChem:380940 is 43166-19-4.
What is the molecular formula of RefChem:380940?
The molecular formula of RefChem:380940 is C21H24ClN3O7.
What is the molecular weight of RefChem:380940?
The molecular weight of RefChem:380940 is 465.13 g/mol.
Where can I buy RefChem:380940?
You can request a quote for RefChem:380940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:380940?
Yes, KEHONG BIO provides custom synthesis services for RefChem:380940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.