2,6-Dibenzoyl-hydrochinon
TL;DR: 2,6-Dibenzoyl-hydrochinon (CAS 185409-97-6) is a chemical compound with molecular formula C22H19ClN4O2S and molecular weight 438.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-amino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: 2,6-Dibenzoyl-hydrochinon, IFLab1_004838, BAS 00635030, IDI1_010593, 6-((2-amino-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C22H19ClN4O2S |
|---|---|
| Molecular Weight | 438.09 g/mol |
| LogP | 3.89318 |
| Topological Polar Surface Area | 108.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.09174 |
| Heavy Atoms | 30 |
| Complexity | 1089.8164 |
Chemical Identifiers
| CAS Number | 185409-97-6 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3 |
Product Overview
2,6-Dibenzoyl-hydrochinon (CAS 185409-97-6), with molecular formula C22H19ClN4O2S and molecular weight 438.09 g/mol. IUPAC: 6-(2-amino-2-oxoethyl)sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of 2,6-Dibenzoyl-hydrochinon
Property Insights of 2,6-Dibenzoyl-hydrochinon
The XLogP value of 3.89318 indicates that 2,6-Dibenzoyl-hydrochinon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dibenzoyl-hydrochinon. Following Lipinski's Rule of Five, 2,6-Dibenzoyl-hydrochinon has 3 hydrogen bond donor(s) and 5 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 2,6-Dibenzoyl-hydrochinon?
The CAS number of 2,6-Dibenzoyl-hydrochinon is 185409-97-6.
What is the molecular formula of 2,6-Dibenzoyl-hydrochinon?
The molecular formula of 2,6-Dibenzoyl-hydrochinon is C22H19ClN4O2S.
What is the molecular weight of 2,6-Dibenzoyl-hydrochinon?
The molecular weight of 2,6-Dibenzoyl-hydrochinon is 438.09 g/mol.
Where can I buy 2,6-Dibenzoyl-hydrochinon?
You can request a quote for 2,6-Dibenzoyl-hydrochinon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dibenzoyl-hydrochinon?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibenzoyl-hydrochinon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.