![1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione structure](/static/products/879/879465-40-4.png)
1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione
TL;DR: 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione (CAS 879465-40-4) is a chemical compound with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-1',6'-dimethyl-2-sulfanylidenespiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-4,6-dione
Also Known As: 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione, 1-butyl-1',6'-dimethyl-2-sulfanylidenespiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-4,6-dione, 1-butyl-1',6'-dimethyl-2-thioxo-2,2',3,4'-tetrahydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-4,6-dione
| Molecular Formula | C18H23N3O2S |
|---|---|
| Molecular Weight | 345.15 g/mol |
| LogP | 2.01712 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1511 |
| Heavy Atoms | 24 |
| Complexity | 718.21545 |
Chemical Identifiers
| CAS Number | 879465-40-4 |
|---|---|
| SMILES | CCCCN1C(=O)C2(CC3=C(C=CC(=C3)C)N(C2)C)C(=O)NC1=S |
Product Overview
1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione (CAS 879465-40-4), with molecular formula C18H23N3O2S and molecular weight 345.15 g/mol. IUPAC: 1-butyl-1',6'-dimethyl-2-sulfanylidenespiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-4,6-dione.
Chemical Property Profile of 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione
Property Insights of 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione
The XLogP value of 2.01712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione. With a topological polar surface area (TPSA) of 52.65 Ų, 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione 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 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione?
The CAS number of 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione is 879465-40-4.
What is the molecular formula of 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione?
The molecular formula of 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione is C18H23N3O2S.
What is the molecular weight of 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione?
The molecular weight of 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione is 345.15 g/mol.
Where can I buy 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione?
You can request a quote for 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-1',6'-dimethyl-2-sulfanyl-1',4'-dihydro-2'H,4H-spiro[pyrimidine-5,3'-quinoline]-4,6(1H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.