6K-587S
TL;DR: 6K-587S (CAS 338966-07-7) is a chemical compound with molecular formula C25H23ClN2OS and molecular weight 434.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-(3,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanylmethyl]quinazolin-4-one
Also Known As: 6K-587S, 7-chloro-3-(3,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanylmethyl]quinazolin-4-one, 7-chloro-3-(3,5-dimethylphenyl)-2-{[(4-methylbenzyl)sulfanyl]methyl}-4(3H)-quinazolinone, 7-chloro-3-(3,5-dimethylphenyl)-2-({[(4-methylphenyl)methyl]sulfanyl}methyl)-3,4-dihydroquinazolin-4-one
| Molecular Formula | C25H23ClN2OS |
|---|---|
| Molecular Weight | 434.12 g/mol |
| LogP | 6.39776 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.12195 |
| Heavy Atoms | 30 |
| Complexity | 1258.8097 |
Chemical Identifiers
| CAS Number | 338966-07-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSCC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC(=CC(=C4)C)C |
Product Overview
6K-587S (CAS 338966-07-7), with molecular formula C25H23ClN2OS and molecular weight 434.12 g/mol. IUPAC: 7-chloro-3-(3,5-dimethylphenyl)-2-[(4-methylphenyl)methylsulfanylmethyl]quinazolin-4-one.
Chemical Property Profile of 6K-587S
Property Insights of 6K-587S
The XLogP value of 6.39776 indicates that 6K-587S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 6K-587S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6K-587S 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 6K-587S?
The CAS number of 6K-587S is 338966-07-7.
What is the molecular formula of 6K-587S?
The molecular formula of 6K-587S is C25H23ClN2OS.
What is the molecular weight of 6K-587S?
The molecular weight of 6K-587S is 434.12 g/mol.
Where can I buy 6K-587S?
You can request a quote for 6K-587S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6K-587S?
Yes, KEHONG BIO provides custom synthesis services for 6K-587S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.