A4112/0175295
TL;DR: A4112/0175295 (CAS 1005277-27-9) is a chemical compound with molecular formula C21H26N4O5 and molecular weight 414.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
Also Known As: A4112/0175295, 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione, 1'-(tert-butyl)-3-methyl-8-nitro-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione, 1'-tert-butyl-2'-hydroxy-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H)-dione, 1'-tert-butyl-3-methyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
| Molecular Formula | C21H26N4O5 |
|---|---|
| Molecular Weight | 414.19 g/mol |
| LogP | 2.6191 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 414.1903 |
| Heavy Atoms | 30 |
| Complexity | 968.63367 |
Chemical Identifiers
| CAS Number | 1005277-27-9 |
|---|---|
| SMILES | CC1CCN2C(C1)C3(CC4=C2C=CC(=C4)[N+](=O)[O-])C(=O)NC(=O)N(C3=O)C(C)(C)C |
Product Overview
A4112/0175295 (CAS 1005277-27-9), with molecular formula C21H26N4O5 and molecular weight 414.19 g/mol. IUPAC: 1'-tert-butyl-3-methyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione.
Chemical Property Profile of A4112/0175295
Property Insights of A4112/0175295
The XLogP value of 2.6191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A4112/0175295. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for A4112/0175295. Following Lipinski's Rule of Five, A4112/0175295 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 A4112/0175295?
The CAS number of A4112/0175295 is 1005277-27-9.
What is the molecular formula of A4112/0175295?
The molecular formula of A4112/0175295 is C21H26N4O5.
What is the molecular weight of A4112/0175295?
The molecular weight of A4112/0175295 is 414.19 g/mol.
Where can I buy A4112/0175295?
You can request a quote for A4112/0175295 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4112/0175295?
Yes, KEHONG BIO provides custom synthesis services for A4112/0175295 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.