5K-641S
TL;DR: 5K-641S (CAS 338957-77-0) is a chemical compound with molecular formula C24H19F3N2OS and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dimethylphenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Also Known As: 5K-641S, 2-[(3,5-dimethylphenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one, 2-{[(3,5-dimethylphenyl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]-4(3H)-quinazolinone, 2-{[(3,5-dimethylphenyl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one
| Molecular Formula | C24H19F3N2OS |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 6.31364 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.117 |
| Heavy Atoms | 31 |
| Complexity | 1308.448 |
Chemical Identifiers
| CAS Number | 338957-77-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)SCC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F)C |
Product Overview
5K-641S (CAS 338957-77-0), with molecular formula C24H19F3N2OS and molecular weight 440.12 g/mol. IUPAC: 2-[(3,5-dimethylphenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one.
Chemical Property Profile of 5K-641S
Property Insights of 5K-641S
The XLogP value of 6.31364 indicates that 5K-641S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 5K-641S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-641S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5K-641S?
The CAS number of 5K-641S is 338957-77-0.
What is the molecular formula of 5K-641S?
The molecular formula of 5K-641S is C24H19F3N2OS.
What is the molecular weight of 5K-641S?
The molecular weight of 5K-641S is 440.12 g/mol.
Where can I buy 5K-641S?
You can request a quote for 5K-641S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-641S?
Yes, KEHONG BIO provides custom synthesis services for 5K-641S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.