RefChem:207338
TL;DR: RefChem:207338 (CAS 116308-53-3) is a chemical compound with molecular formula C41H41F3N4O4 and molecular weight 710.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[4-(4-benzhydrylpiperazin-1-yl)phenyl]propoxycarbonyl]-2,6-dimethyl-4-[2-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylic acid
Also Known As: (3,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-2-(trifluoromethyl)-,2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester, 5'-[(3-{4-[4-(Diphenylmethyl)piperazin-1-yl]phenyl}propoxy)carbonyl]-2',6'-dimethyl-2-(trifluoromethyl)-1',4'-dihydro[3,4'-bipyridine]-3'-carboxylic acid, 5-[3-[4-(4-benzhydrylpiperazin-1-yl)phenyl]propoxycarbonyl]-2,6-dimethyl-4-[2-(trifluoromethyl)pyridin-3-yl]-1,4-dihydropyridine-3-carboxylic acid, RefChem:207338
| Molecular Formula | C41H41F3N4O4 |
|---|---|
| Molecular Weight | 710.31 g/mol |
| LogP | 7.5074 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 710.308 |
| Heavy Atoms | 52 |
| Complexity | 1898.8068 |
Chemical Identifiers
| CAS Number | 116308-53-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCCC2=CC=C(C=C2)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C6=C(N=CC=C6)C(F)(F)F)C(=O)O |
Product Overview
RefChem:207338 (CAS 116308-53-3), with molecular formula C41H41F3N4O4 and molecular weight 710.31 g/mol. IUPAC: 5-[3-[4-(4-benzhydrylpiperazin-1-yl)phenyl]propoxycarbonyl]-2,6-dimethyl-4-[2-(trifluoromethyl)-3-pyridinyl]-1,4-dihydropyridine-3-carboxylic acid.
Chemical Property Profile of RefChem:207338
Property Insights of RefChem:207338
The XLogP value of 7.5074 indicates that RefChem:207338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:207338. Following Lipinski's Rule of Five, RefChem:207338 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:207338?
The CAS number of RefChem:207338 is 116308-53-3.
What is the molecular formula of RefChem:207338?
The molecular formula of RefChem:207338 is C41H41F3N4O4.
What is the molecular weight of RefChem:207338?
The molecular weight of RefChem:207338 is 710.31 g/mol.
Where can I buy RefChem:207338?
You can request a quote for RefChem:207338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:207338?
Yes, KEHONG BIO provides custom synthesis services for RefChem:207338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.