1K-347S
TL;DR: 1K-347S (CAS 860787-83-3) is a chemical compound with molecular formula C22H18F3N3O and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1H-pyridin-2-one
Also Known As: 1K-347S, 5-{5,6-dimethyl-1-[4-(trifluoromethyl)benzyl]-1H-1,3-benzimidazol-2-yl}-2(1H)-pyridinone, 5-(5,6-dimethyl-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-1,3-benzodiazol-2-yl)-1,2-dihydropyridin-2-one, 5-[5,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1H-pyridin-2-one, (5E)-5-[5,6-dimethyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-ylidene]pyridin-2-one
| Molecular Formula | C22H18F3N3O |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 5.07554 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.1402 |
| Heavy Atoms | 29 |
| Complexity | 1231.0145 |
Chemical Identifiers
| CAS Number | 860787-83-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)N(C(=N2)C3=CNC(=O)C=C3)CC4=CC=C(C=C4)C(F)(F)F |
Product Overview
1K-347S (CAS 860787-83-3), with molecular formula C22H18F3N3O and molecular weight 397.14 g/mol. IUPAC: 5-[5,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]-1H-pyridin-2-one.
Chemical Property Profile of 1K-347S
Property Insights of 1K-347S
The XLogP value of 5.07554 indicates that 1K-347S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.68 Ų, 1K-347S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1K-347S 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 1K-347S?
The CAS number of 1K-347S is 860787-83-3.
What is the molecular formula of 1K-347S?
The molecular formula of 1K-347S is C22H18F3N3O.
What is the molecular weight of 1K-347S?
The molecular weight of 1K-347S is 397.14 g/mol.
Where can I buy 1K-347S?
You can request a quote for 1K-347S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1K-347S?
Yes, KEHONG BIO provides custom synthesis services for 1K-347S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.