CTK5D3587
TL;DR: CTK5D3587 (CAS 71160-18-4) is a chemical compound with molecular formula C21H25NO5 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-[4-(furan-2-yl)buta-1,3-dienyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(4-(2-furanyl)-1,3-butadienyl)-, diethyl ester, DIETHYL 4-[(1E,3E)-4-(2-FURYL)BUTA-1,3-DIENYL]-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
| Molecular Formula | C21H25NO5 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 3.7426 |
| Topological Polar Surface Area | 77.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.17328 |
| Heavy Atoms | 27 |
| Complexity | 756.5481 |
Chemical Identifiers
| CAS Number | 71160-18-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C=CC=CC2=CC=CO2)C(=O)OCC)C)C |
Product Overview
CTK5D3587 (CAS 71160-18-4), with molecular formula C21H25NO5 and molecular weight 371.17 g/mol. IUPAC: diethyl 4-[4-(furan-2-yl)buta-1,3-dienyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of CTK5D3587
Property Insights of CTK5D3587
The XLogP value of 3.7426 indicates that CTK5D3587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.77 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5D3587. Following Lipinski's Rule of Five, CTK5D3587 has 1 hydrogen bond donor(s) and 6 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 CTK5D3587?
The CAS number of CTK5D3587 is 71160-18-4.
What is the molecular formula of CTK5D3587?
The molecular formula of CTK5D3587 is C21H25NO5.
What is the molecular weight of CTK5D3587?
The molecular weight of CTK5D3587 is 371.17 g/mol.
Where can I buy CTK5D3587?
You can request a quote for CTK5D3587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5D3587?
Yes, KEHONG BIO provides custom synthesis services for CTK5D3587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.