F0581-0598
TL;DR: F0581-0598 (CAS 687572-44-7) is a chemical compound with molecular formula C16H17FN2OS and molecular weight 304.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-7,7-dimethyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
Also Known As: F0581-0598, 4-(4-fluorophenyl)-7,7-dimethyl-2-thioxo-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one, 4-(4-fluorophenyl)-7,7-dimethyl-2-sulfanylidene-1,2,3,4,5,6,7,8-octahydroquinazolin-5-one, 4-(4-fluorophenyl)-7,7-dimethyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
| Molecular Formula | C16H17FN2OS |
|---|---|
| Molecular Weight | 304.10 g/mol |
| LogP | 2.9877 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.10455 |
| Heavy Atoms | 21 |
| Complexity | 648.7457 |
Chemical Identifiers
| CAS Number | 687572-44-7 |
|---|---|
| SMILES | CC1(CC2=C(C(NC(=S)N2)C3=CC=C(C=C3)F)C(=O)C1)C |
Product Overview
F0581-0598 (CAS 687572-44-7), with molecular formula C16H17FN2OS and molecular weight 304.10 g/mol. IUPAC: 4-(4-fluorophenyl)-7,7-dimethyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one.
Chemical Property Profile of F0581-0598
Property Insights of F0581-0598
The XLogP value of 2.9877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0581-0598. With a topological polar surface area (TPSA) of 41.13 Ų, F0581-0598 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0581-0598 has 2 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 F0581-0598?
The CAS number of F0581-0598 is 687572-44-7.
What is the molecular formula of F0581-0598?
The molecular formula of F0581-0598 is C16H17FN2OS.
What is the molecular weight of F0581-0598?
The molecular weight of F0581-0598 is 304.10 g/mol.
Where can I buy F0581-0598?
You can request a quote for F0581-0598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0581-0598?
Yes, KEHONG BIO provides custom synthesis services for F0581-0598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.