UPCMLD0ENAT5747522:001
TL;DR: UPCMLD0ENAT5747522:001 (CAS 488108-56-1) is a chemical compound with molecular formula C22H17F3N4 and molecular weight 394.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3-methyl-1-[3-(trifluoromethyl)anilino]pyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: UPCMLD0ENAT5747522:001, A3390/0143826, 2-ethyl-3-methyl-1-{[3-(trifluoromethyl)phenyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-ET-3-ME-1-(3(TRIFLUOROMETHYL)ANILINO)PYRIDO(1,2-A)BENZIMIDAZOLE-4-CARBONITRILE, 2-ethyl-3-methyl-1-[3-(trifluoromethyl)anilino]pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C22H17F3N4 |
|---|---|
| Molecular Weight | 394.14 g/mol |
| LogP | 5.9924 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.14053 |
| Heavy Atoms | 29 |
| Complexity | 1279.4257 |
Chemical Identifiers
| CAS Number | 488108-56-1 |
|---|---|
| SMILES | CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
UPCMLD0ENAT5747522:001 (CAS 488108-56-1), with molecular formula C22H17F3N4 and molecular weight 394.14 g/mol. IUPAC: 2-ethyl-3-methyl-1-[3-(trifluoromethyl)anilino]pyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5747522:001
Property Insights of UPCMLD0ENAT5747522:001
The XLogP value of 5.9924 indicates that UPCMLD0ENAT5747522:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.12 Ų, UPCMLD0ENAT5747522:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5747522:001 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5747522:001?
The CAS number of UPCMLD0ENAT5747522:001 is 488108-56-1.
What is the molecular formula of UPCMLD0ENAT5747522:001?
The molecular formula of UPCMLD0ENAT5747522:001 is C22H17F3N4.
What is the molecular weight of UPCMLD0ENAT5747522:001?
The molecular weight of UPCMLD0ENAT5747522:001 is 394.14 g/mol.
Where can I buy UPCMLD0ENAT5747522:001?
You can request a quote for UPCMLD0ENAT5747522:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5747522:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5747522:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.