ChemDiv3_005067
TL;DR: ChemDiv3_005067 (CAS 522659-96-7) is a chemical compound with molecular formula C20H16ClN3OS2 and molecular weight 413.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one
Also Known As: ChemDiv3_005067, IDI1_022977, 2-[(4-chlorobenzyl)sulfanyl]-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3,5-dihydro-4H-imidazol-4-one, AJ-292/41685981, 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one
| Molecular Formula | C20H16ClN3OS2 |
|---|---|
| Molecular Weight | 413.04 g/mol |
| LogP | 5.40792 |
| Topological Polar Surface Area | 45.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.04233 |
| Heavy Atoms | 27 |
| Complexity | 996.8261 |
Chemical Identifiers
| CAS Number | 522659-96-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)CN=C3SCC4=CC=C(C=C4)Cl |
Product Overview
ChemDiv3_005067 (CAS 522659-96-7), with molecular formula C20H16ClN3OS2 and molecular weight 413.04 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4H-imidazol-5-one.
Chemical Property Profile of ChemDiv3_005067
Property Insights of ChemDiv3_005067
The XLogP value of 5.40792 indicates that ChemDiv3_005067 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.56 Ų, ChemDiv3_005067 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_005067 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_005067?
The CAS number of ChemDiv3_005067 is 522659-96-7.
What is the molecular formula of ChemDiv3_005067?
The molecular formula of ChemDiv3_005067 is C20H16ClN3OS2.
What is the molecular weight of ChemDiv3_005067?
The molecular weight of ChemDiv3_005067 is 413.04 g/mol.
Where can I buy ChemDiv3_005067?
You can request a quote for ChemDiv3_005067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005067?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.