A4085/0174127
TL;DR: A4085/0174127 (CAS 879765-59-0) is a chemical compound with molecular formula C19H22N4O5 and molecular weight 386.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-7'-nitrospiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
Also Known As: A4085/0174127, 1-(tert-butyl)-7'-nitro-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione, 1-tert-butyl-7'-nitro-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione, 1-tert-butyl-7'-nitrospiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione, 5-TERT-BUTYL-7'-NITRO-2',3',3'A,5'-TETRAHYDRO-1'H-SPIRO[1,5-DIAZINANE-3,4'-PYRROLO[1,2-A]QUINOLINE]-2,4,6-TRIONE
| Molecular Formula | C19H22N4O5 |
|---|---|
| Molecular Weight | 386.16 g/mol |
| LogP | 1.983 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 386.15903 |
| Heavy Atoms | 28 |
| Complexity | 921.38934 |
Chemical Identifiers
| CAS Number | 879765-59-0 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CCC4)C(=O)NC1=O |
Product Overview
A4085/0174127 (CAS 879765-59-0), with molecular formula C19H22N4O5 and molecular weight 386.16 g/mol. IUPAC: 1-tert-butyl-7'-nitrospiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione.
Chemical Property Profile of A4085/0174127
Property Insights of A4085/0174127
The XLogP value of 1.983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4085/0174127. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for A4085/0174127. Following Lipinski's Rule of Five, A4085/0174127 has 1 hydrogen bond donor(s) and 6 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 A4085/0174127?
The CAS number of A4085/0174127 is 879765-59-0.
What is the molecular formula of A4085/0174127?
The molecular formula of A4085/0174127 is C19H22N4O5.
What is the molecular weight of A4085/0174127?
The molecular weight of A4085/0174127 is 386.16 g/mol.
Where can I buy A4085/0174127?
You can request a quote for A4085/0174127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4085/0174127?
Yes, KEHONG BIO provides custom synthesis services for A4085/0174127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.