1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
TL;DR: 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione (CAS 675830-75-8) is a chemical compound with molecular formula C14H14FN3OS and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
Also Known As: 1-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione, 1-(4-fluorophenyl)-5-(2-furylmethyl)-1,3,5-triazinane-2-thione, 1-(4-FLUOROPHENYL)-5-[(FURAN-2-YL)METHYL]-1,3,5-TRIAZINANE-2-THIONE
| Molecular Formula | C14H14FN3OS |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.08417 |
| Heavy Atoms | 20 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 675830-75-8 |
|---|---|
| SMILES | C1NC(=S)N(CN1CC2=CC=CO2)C3=CC=C(C=C3)F |
| InChIKey | QXMASLBCAAJVOR-UHFFFAOYSA-N |
Product Overview
1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione (CAS 675830-75-8), with molecular formula C14H14FN3OS and molecular weight 291.08 g/mol. IUPAC: 1-(4-fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
Property Insights of 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione 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-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
The CAS number of 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione is 675830-75-8.
What is the molecular formula of 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
The molecular formula of 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione is C14H14FN3OS.
What is the molecular weight of 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
The molecular weight of 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione is 291.08 g/mol.
Where can I buy 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
You can request a quote for 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-5-(furan-2-ylmethyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.