5K-933
TL;DR: 5K-933 (CAS 400084-40-4) is a chemical compound with molecular formula C17H14Cl2N4S2 and molecular weight 408.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-bis(4-chlorophenyl)-7-methyl-6,7a-dihydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione
Also Known As: 5K-933, 3,7-bis(4-chlorophenyl)-7-methyldihydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5(3H,6H)-dithione, 3,7-bis(4-chlorophenyl)-7-methyl-6,7a-dihydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione, 3,7-bis(4-chlorophenyl)-7-methyl-hexahydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione, 3,7-bis(4-chlorophenyl)-7-methyl-dihydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione
| Molecular Formula | C17H14Cl2N4S2 |
|---|---|
| Molecular Weight | 408.00 g/mol |
| LogP | 4.0345 |
| Topological Polar Surface Area | 30.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.0037 |
| Heavy Atoms | 25 |
| Complexity | 855.9565 |
Chemical Identifiers
| CAS Number | 400084-40-4 |
|---|---|
| SMILES | CC1(C2NC(=S)N(N2C(=S)N1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
Product Overview
5K-933 (CAS 400084-40-4), with molecular formula C17H14Cl2N4S2 and molecular weight 408.00 g/mol. IUPAC: 3,7-bis(4-chlorophenyl)-7-methyl-6,7a-dihydro-1H-imidazo[1,5-b][1,2,4]triazole-2,5-dithione.
Chemical Property Profile of 5K-933
Property Insights of 5K-933
The XLogP value of 4.0345 indicates that 5K-933 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.54 Ų, 5K-933 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-933 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5K-933?
The CAS number of 5K-933 is 400084-40-4.
What is the molecular formula of 5K-933?
The molecular formula of 5K-933 is C17H14Cl2N4S2.
What is the molecular weight of 5K-933?
The molecular weight of 5K-933 is 408.00 g/mol.
Where can I buy 5K-933?
You can request a quote for 5K-933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-933?
Yes, KEHONG BIO provides custom synthesis services for 5K-933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.