5K-588S
TL;DR: 5K-588S (CAS 338957-47-4) is a chemical compound with molecular formula C24H20Cl2N2OS and molecular weight 454.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylsulfanylmethyl)-6,8-dichloro-3-(2,6-dimethylphenyl)quinazolin-4-one
Also Known As: 5K-588S, 2-[(benzylsulfanyl)methyl]-6,8-dichloro-3-(2,6-dimethylphenyl)-3,4-dihydroquinazolin-4-one, 2-(benzylsulfanylmethyl)-6,8-dichloro-3-(2,6-dimethylphenyl)quinazolin-4-one, 2-[(benzylsulfanyl)methyl]-6,8-dichloro-3-(2,6-dimethylphenyl)-4(3H)-quinazolinone
| Molecular Formula | C24H20Cl2N2OS |
|---|---|
| Molecular Weight | 454.07 g/mol |
| LogP | 6.74274 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.06735 |
| Heavy Atoms | 30 |
| Complexity | 1265.867 |
Chemical Identifiers
| CAS Number | 338957-47-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=NC3=C(C2=O)C=C(C=C3Cl)Cl)CSCC4=CC=CC=C4 |
Product Overview
5K-588S (CAS 338957-47-4), with molecular formula C24H20Cl2N2OS and molecular weight 454.07 g/mol. IUPAC: 2-(benzylsulfanylmethyl)-6,8-dichloro-3-(2,6-dimethylphenyl)quinazolin-4-one.
Chemical Property Profile of 5K-588S
Property Insights of 5K-588S
The XLogP value of 6.74274 indicates that 5K-588S 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-588S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-588S 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-588S?
The CAS number of 5K-588S is 338957-47-4.
What is the molecular formula of 5K-588S?
The molecular formula of 5K-588S is C24H20Cl2N2OS.
What is the molecular weight of 5K-588S?
The molecular weight of 5K-588S is 454.07 g/mol.
Where can I buy 5K-588S?
You can request a quote for 5K-588S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-588S?
Yes, KEHONG BIO provides custom synthesis services for 5K-588S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.