1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 330839-22-0) is a chemical compound with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, ChemDiv1_020458, AB00083886-01, 1-(2-methoxyphenyl)-2-sulfanylpyrimidine-4,6(1H,5H)-dione, 2-Mercapto-1-(2-methoxyphenyl)pyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C11H10N2O3S |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.04121 |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 330839-22-0 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=O)CC(=O)NC2=S |
| InChIKey | WFBFJACLEUTVGF-UHFFFAOYSA-N |
Product Overview
1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 330839-22-0), with molecular formula C11H10N2O3S and molecular weight 250.04 g/mol. IUPAC: 1-(2-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione. Following Lipinski's Rule of Five, 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-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-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 330839-22-0.
What is the molecular formula of 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is C11H10N2O3S.
What is the molecular weight of 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is 250.04 g/mol.
Where can I buy 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.