3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
TL;DR: 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one (CAS 30695-44-4) is a chemical compound with molecular formula C11H11FN2OS and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
Also Known As: 3-(4-fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
| Molecular Formula | C11H11FN2OS |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 1.6829 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.05762 |
| Heavy Atoms | 16 |
| Complexity | 432.11563 |
Chemical Identifiers
| CAS Number | 30695-44-4 |
|---|---|
| SMILES | CC1CNC(=S)N(C1=O)C2=CC=C(C=C2)F |
Product Overview
3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one (CAS 30695-44-4), with molecular formula C11H11FN2OS and molecular weight 238.06 g/mol. IUPAC: 3-(4-fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one.
Chemical Property Profile of 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
Property Insights of 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
The XLogP value of 1.6829 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one. With a topological polar surface area (TPSA) of 32.34 Ų, 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one has 1 hydrogen bond donor(s) and 2 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 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one?
The CAS number of 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one is 30695-44-4.
What is the molecular formula of 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one?
The molecular formula of 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one is C11H11FN2OS.
What is the molecular weight of 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one?
The molecular weight of 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one is 238.06 g/mol.
Where can I buy 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one?
You can request a quote for 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.