Opera_ID_745
TL;DR: Opera_ID_745 (CAS 879450-06-3) is a chemical compound with molecular formula C21H18ClN3O3 and molecular weight 395.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
Also Known As: 1-(4-chlorophenyl)-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione, 1-(4-chlorophenyl)-2-hydroxy-1',2',3',3a'-tetrahydro-4H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-4,6(1H)-dione, 1-(4-chlorophenyl)spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione, Opera_ID_745
| Molecular Formula | C21H18ClN3O3 |
|---|---|
| Molecular Weight | 395.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 395.10367 |
| Heavy Atoms | 28 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 879450-06-3 |
|---|---|
| SMILES | C1CC2C3(CC4=CC=CC=C4N2C1)C(=O)NC(=O)N(C3=O)C5=CC=C(C=C5)Cl |
| InChIKey | YMLQUSULRKRLFJ-UHFFFAOYSA-N |
Product Overview
Opera_ID_745 (CAS 879450-06-3), with molecular formula C21H18ClN3O3 and molecular weight 395.10 g/mol. IUPAC: 1-(4-chlorophenyl)spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of Opera_ID_745
Property Insights of Opera_ID_745
The XLogP value of 3.5 indicates that Opera_ID_745 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_745. Following Lipinski's Rule of Five, Opera_ID_745 has 1 hydrogen bond donor(s) and 4 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 Opera_ID_745?
The CAS number of Opera_ID_745 is 879450-06-3.
What is the molecular formula of Opera_ID_745?
The molecular formula of Opera_ID_745 is C21H18ClN3O3.
What is the molecular weight of Opera_ID_745?
The molecular weight of Opera_ID_745 is 395.10 g/mol.
Where can I buy Opera_ID_745?
You can request a quote for Opera_ID_745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_745?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.