5K-653S
TL;DR: 5K-653S (CAS 338957-87-2) is a chemical compound with molecular formula C22H13Cl2F3N2OS and molecular weight 480.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dichlorophenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
Also Known As: 5K-653S, 2-[(2,5-dichlorophenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one, 2-{[(2,5-dichlorophenyl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]-4(3H)-quinazolinone, 2-{[(2,5-dichlorophenyl)sulfanyl]methyl}-3-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-4-one
| Molecular Formula | C22H13Cl2F3N2OS |
|---|---|
| Molecular Weight | 480.01 g/mol |
| LogP | 7.0036 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.00778 |
| Heavy Atoms | 31 |
| Complexity | 1338.6296 |
Chemical Identifiers
| CAS Number | 338957-87-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=C(C=CC(=C3)Cl)Cl)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
5K-653S (CAS 338957-87-2), with molecular formula C22H13Cl2F3N2OS and molecular weight 480.01 g/mol. IUPAC: 2-[(2,5-dichlorophenyl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one.
Chemical Property Profile of 5K-653S
Property Insights of 5K-653S
The XLogP value of 7.0036 indicates that 5K-653S 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-653S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-653S 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-653S?
The CAS number of 5K-653S is 338957-87-2.
What is the molecular formula of 5K-653S?
The molecular formula of 5K-653S is C22H13Cl2F3N2OS.
What is the molecular weight of 5K-653S?
The molecular weight of 5K-653S is 480.01 g/mol.
Where can I buy 5K-653S?
You can request a quote for 5K-653S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-653S?
Yes, KEHONG BIO provides custom synthesis services for 5K-653S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.