RefChem:205474
TL;DR: RefChem:205474 (CAS 116308-44-2) is a chemical compound with molecular formula C26H29ClN4O4 and molecular weight 496.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-O-[2-[4-(dimethylamino)phenyl]ethyl] 3-O-methyl 4-(4-cyano-2-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Also Known As: (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-4-cyano-2',6'-dimethyl-, 2-(4-(dimethylamino)phenyl)ethyl methyl ester, monohydrochloride, 2-[4-(Dimethylamino)phenyl]ethyl methyl 4-cyano-2',6'-dimethyl-1',4'-dihydro[2,4'-bipyridine]-3',5'-dicarboxylate--hydrogen chloride (1/1), 5-O-[2-(4-dimethylaminophenyl)ethyl] 3-O-methyl 4-(4-cyanopyridin-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride, RefChem:205474
| Molecular Formula | C26H29ClN4O4 |
|---|---|
| Molecular Weight | 496.19 g/mol |
| LogP | 3.63478 |
| Topological Polar Surface Area | 104.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.18774 |
| Heavy Atoms | 35 |
| Complexity | 1196.5776 |
Chemical Identifiers
| CAS Number | 116308-44-2 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCC2=CC=C(C=C2)N(C)C)C3=NC=CC(=C3)C#N)C(=O)OC.Cl |
Product Overview
RefChem:205474 (CAS 116308-44-2), with molecular formula C26H29ClN4O4 and molecular weight 496.19 g/mol. IUPAC: 5-O-[2-[4-(dimethylamino)phenyl]ethyl] 3-O-methyl 4-(4-cyano-2-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride.
Chemical Property Profile of RefChem:205474
Property Insights of RefChem:205474
The XLogP value of 3.63478 indicates that RefChem:205474 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.55 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:205474. Following Lipinski's Rule of Five, RefChem:205474 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:205474?
The CAS number of RefChem:205474 is 116308-44-2.
What is the molecular formula of RefChem:205474?
The molecular formula of RefChem:205474 is C26H29ClN4O4.
What is the molecular weight of RefChem:205474?
The molecular weight of RefChem:205474 is 496.19 g/mol.
Where can I buy RefChem:205474?
You can request a quote for RefChem:205474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:205474?
Yes, KEHONG BIO provides custom synthesis services for RefChem:205474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.