2K-312S
TL;DR: 2K-312S (CAS 338774-01-9) is a chemical compound with molecular formula C20H12Cl2F3N3O and molecular weight 437.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5,6-dichloro-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1H-pyridin-2-one
Also Known As: 2K-312S, 5-{5,6-dichloro-1-[3-(trifluoromethyl)benzyl]-1H-1,3-benzimidazol-2-yl}-2(1H)-pyridinone, 5-(5,6-dichloro-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)-1,2-dihydropyridin-2-one, 5-[5,6-dichloro-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1H-pyridin-2-one, (5E)-5-[5,6-dichloro-3-[[3-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-ylidene]pyridin-2-one
| Molecular Formula | C20H12Cl2F3N3O |
|---|---|
| Molecular Weight | 437.03 g/mol |
| LogP | 5.7655 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.03094 |
| Heavy Atoms | 29 |
| Complexity | 1257.9335 |
Chemical Identifiers
| CAS Number | 338774-01-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN2C3=CC(=C(C=C3N=C2C4=CNC(=O)C=C4)Cl)Cl |
Product Overview
2K-312S (CAS 338774-01-9), with molecular formula C20H12Cl2F3N3O and molecular weight 437.03 g/mol. IUPAC: 5-[5,6-dichloro-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1H-pyridin-2-one.
Chemical Property Profile of 2K-312S
Property Insights of 2K-312S
The XLogP value of 5.7655 indicates that 2K-312S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, 2K-312S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2K-312S has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2K-312S?
The CAS number of 2K-312S is 338774-01-9.
What is the molecular formula of 2K-312S?
The molecular formula of 2K-312S is C20H12Cl2F3N3O.
What is the molecular weight of 2K-312S?
The molecular weight of 2K-312S is 437.03 g/mol.
Where can I buy 2K-312S?
You can request a quote for 2K-312S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2K-312S?
Yes, KEHONG BIO provides custom synthesis services for 2K-312S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.