K-604
TL;DR: K-604 (CAS 217094-32-1) is a chemical compound with molecular formula C23H30N6OS3 and molecular weight 502.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
Also Known As: K604 compound, K-604, compound 2 [PMID: 30433781], K604, J2.296.050D
| Molecular Formula | C23H30N6OS3 |
|---|---|
| Molecular Weight | 502.16 g/mol |
| LogP | 4.05852 |
| Topological Polar Surface Area | 77.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.16434 |
| Heavy Atoms | 33 |
| Complexity | 1038.7404 |
Chemical Identifiers
| CAS Number | 217094-32-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SC)NC(=O)CN2CCN(CC2)CCSC3=NC4=CC=CC=C4N3)SC |
Product Overview
K-604 (CAS 217094-32-1), with molecular formula C23H30N6OS3 and molecular weight 502.16 g/mol. IUPAC: 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide.
Chemical Property Profile of K-604
Property Insights of K-604
The XLogP value of 4.05852 indicates that K-604 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.15 Ų falls within the moderate polarity range, balancing permeability and solubility for K-604. Following Lipinski's Rule of Five, K-604 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of K-604?
The CAS number of K-604 is 217094-32-1.
What is the molecular formula of K-604?
The molecular formula of K-604 is C23H30N6OS3.
What is the molecular weight of K-604?
The molecular weight of K-604 is 502.16 g/mol.
Where can I buy K-604?
You can request a quote for K-604 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for K-604?
Yes, KEHONG BIO provides custom synthesis services for K-604 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.