A3758/0159376
TL;DR: A3758/0159376 (CAS 727670-09-9) is a chemical compound with molecular formula C15H16N4O4S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-ethyl-2'-methyl-6'-nitro-2-sulfanylidenespiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-4,6-dione
Also Known As: A3758/0159376, 1'-ethyl-2'-methyl-6'-nitro-2-thioxo-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H,3H)-dione, 1'-ethyl-2'-methyl-6'-nitro-2-thioxo-2,2',3,4'-tetrahydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-4,6-dione, 1'-ethyl-2'-methyl-6'-nitro-2-sulfanylidenespiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-4,6-dione, 1'-ETHYL-2'-METHYL-6'-NITRO-6-SULFANYLIDENE-2',4'-DIHYDRO-1'H-SPIRO[1,5-DIAZINANE-3,3'-QUINOLINE]-2,4-DIONE
| Molecular Formula | C15H16N4O4S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 0.883 |
| Topological Polar Surface Area | 104.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.08923 |
| Heavy Atoms | 24 |
| Complexity | 758.7376 |
Chemical Identifiers
| CAS Number | 727670-09-9 |
|---|---|
| SMILES | CCN1C(C2(CC3=C1C=CC(=C3)[N+](=O)[O-])C(=O)NC(=S)NC2=O)C |
Product Overview
A3758/0159376 (CAS 727670-09-9), with molecular formula C15H16N4O4S and molecular weight 348.09 g/mol. IUPAC: 1'-ethyl-2'-methyl-6'-nitro-2-sulfanylidenespiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-4,6-dione.
Chemical Property Profile of A3758/0159376
Property Insights of A3758/0159376
The XLogP value of 0.883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3758/0159376. The TPSA of 104.58 Ų falls within the moderate polarity range, balancing permeability and solubility for A3758/0159376. Following Lipinski's Rule of Five, A3758/0159376 has 2 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 A3758/0159376?
The CAS number of A3758/0159376 is 727670-09-9.
What is the molecular formula of A3758/0159376?
The molecular formula of A3758/0159376 is C15H16N4O4S.
What is the molecular weight of A3758/0159376?
The molecular weight of A3758/0159376 is 348.09 g/mol.
Where can I buy A3758/0159376?
You can request a quote for A3758/0159376 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3758/0159376?
Yes, KEHONG BIO provides custom synthesis services for A3758/0159376 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.