A3858/0163843
TL;DR: A3858/0163843 (CAS 728025-92-1) is a chemical compound with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1',3'-dimethyl-8-nitro-2'-sulfanylidenespiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-4',6'-dione
Also Known As: A3858/0163843, 1',3'-dimethyl-8-nitro-2'-thioxo-1,2,2',3,3',4,4a,6-octahydro-1'H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'-dione, 1',3'-dimethyl-8-nitro-2'-sulfanylidenespiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-4',6'-dione, 1',3'-dimethyl-8-nitro-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione, 1,5-DIMETHYL-8'-NITRO-6-SULFANYLIDENE-1',2',3',4',4'A,6'-HEXAHYDROSPIRO[1,5-DIAZINANE-3,5'-PYRIDO[1,2-A]QUINOLINE]-2,4-DIONE
| Molecular Formula | C18H20N4O4S |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 1.7115 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 388.1205 |
| Heavy Atoms | 27 |
| Complexity | 862.1127 |
Chemical Identifiers
| CAS Number | 728025-92-1 |
|---|---|
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CCCC4)C(=O)N(C1=S)C |
Product Overview
A3858/0163843 (CAS 728025-92-1), with molecular formula C18H20N4O4S and molecular weight 388.12 g/mol. IUPAC: 1',3'-dimethyl-8-nitro-2'-sulfanylidenespiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-4',6'-dione.
Chemical Property Profile of A3858/0163843
Property Insights of A3858/0163843
The XLogP value of 1.7115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3858/0163843. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A3858/0163843. Following Lipinski's Rule of Five, A3858/0163843 has 0 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 A3858/0163843?
The CAS number of A3858/0163843 is 728025-92-1.
What is the molecular formula of A3858/0163843?
The molecular formula of A3858/0163843 is C18H20N4O4S.
What is the molecular weight of A3858/0163843?
The molecular weight of A3858/0163843 is 388.12 g/mol.
Where can I buy A3858/0163843?
You can request a quote for A3858/0163843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3858/0163843?
Yes, KEHONG BIO provides custom synthesis services for A3858/0163843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.