F0581-0577
TL;DR: F0581-0577 (CAS 433969-00-7) is a chemical compound with molecular formula C17H20N2OS and molecular weight 300.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-4-(4-methylphenyl)-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
Also Known As: F0581-0577, 7,7-dimethyl-4-(4-methylphenyl)-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one, 7,7-dimethyl-2-thioxo-4-(p-tolyl)-1,2,3,4,7,8-hexahydroquinazolin-5(6H)-one, 7,7-dimethyl-4-(4-methylphenyl)-2-sulfanylidene-1,2,3,4,5,6,7,8-octahydroquinazolin-5-one
| Molecular Formula | C17H20N2OS |
|---|---|
| Molecular Weight | 300.13 g/mol |
| LogP | 3.15702 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.12964 |
| Heavy Atoms | 21 |
| Complexity | 643.2589 |
Chemical Identifiers
| CAS Number | 433969-00-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=S)N2 |
Product Overview
F0581-0577 (CAS 433969-00-7), with molecular formula C17H20N2OS and molecular weight 300.13 g/mol. IUPAC: 7,7-dimethyl-4-(4-methylphenyl)-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one.
Chemical Property Profile of F0581-0577
Property Insights of F0581-0577
The XLogP value of 3.15702 indicates that F0581-0577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, F0581-0577 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F0581-0577 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 F0581-0577?
The CAS number of F0581-0577 is 433969-00-7.
What is the molecular formula of F0581-0577?
The molecular formula of F0581-0577 is C17H20N2OS.
What is the molecular weight of F0581-0577?
The molecular weight of F0581-0577 is 300.13 g/mol.
Where can I buy F0581-0577?
You can request a quote for F0581-0577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0581-0577?
Yes, KEHONG BIO provides custom synthesis services for F0581-0577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.