5K-590S
TL;DR: 5K-590S (CAS 338957-49-6) is a chemical compound with molecular formula C23H17BrCl2N2OS and molecular weight 517.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)sulfanylmethyl]-6,8-dichloro-3-(2,6-dimethylphenyl)quinazolin-4-one
Also Known As: 5K-590S, 2-[(4-bromophenyl)sulfanylmethyl]-6,8-dichloro-3-(2,6-dimethylphenyl)quinazolin-4-one, 2-{[(4-bromophenyl)sulfanyl]methyl}-6,8-dichloro-3-(2,6-dimethylphenyl)-4(3H)-quinazolinone, 2-{[(4-bromophenyl)sulfanyl]methyl}-6,8-dichloro-3-(2,6-dimethylphenyl)-3,4-dihydroquinazolin-4-one, 2-{[(4-bromophenyl)sulfanyl]methyl}-6,8-dichloro-3-(2,6-dimethylphenyl)quinazolin-4-one
| Molecular Formula | C23H17BrCl2N2OS |
|---|---|
| Molecular Weight | 517.96 g/mol |
| LogP | 7.36414 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.9622 |
| Heavy Atoms | 30 |
| Complexity | 1299.5768 |
Chemical Identifiers
| CAS Number | 338957-49-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=NC3=C(C2=O)C=C(C=C3Cl)Cl)CSC4=CC=C(C=C4)Br |
Product Overview
5K-590S (CAS 338957-49-6), with molecular formula C23H17BrCl2N2OS and molecular weight 517.96 g/mol. IUPAC: 2-[(4-bromophenyl)sulfanylmethyl]-6,8-dichloro-3-(2,6-dimethylphenyl)quinazolin-4-one.
Chemical Property Profile of 5K-590S
Property Insights of 5K-590S
The XLogP value of 7.36414 indicates that 5K-590S 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-590S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-590S 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-590S?
The CAS number of 5K-590S is 338957-49-6.
What is the molecular formula of 5K-590S?
The molecular formula of 5K-590S is C23H17BrCl2N2OS.
What is the molecular weight of 5K-590S?
The molecular weight of 5K-590S is 517.96 g/mol.
Where can I buy 5K-590S?
You can request a quote for 5K-590S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-590S?
Yes, KEHONG BIO provides custom synthesis services for 5K-590S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.