RefChem:1066004
TL;DR: RefChem:1066004 (CAS 71160-13-9) is a chemical compound with molecular formula C17H19NO5 and molecular weight 317.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-[(E)-2-(furan-2-yl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-(2-furanyl)ethenyl)-, dimethyl ester, dimethyl 4-[(E)-2-(furan-2-yl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:1066004, BRN 1153801
| Molecular Formula | C17H19NO5 |
|---|---|
| Molecular Weight | 317.13 g/mol |
| LogP | 2.4062 |
| Topological Polar Surface Area | 77.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.1263 |
| Heavy Atoms | 23 |
| Complexity | 656.57574 |
Chemical Identifiers
| CAS Number | 71160-13-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)/C=C/C2=CC=CO2)C(=O)OC |
Product Overview
RefChem:1066004 (CAS 71160-13-9), with molecular formula C17H19NO5 and molecular weight 317.13 g/mol. IUPAC: dimethyl 4-[(E)-2-(furan-2-yl)ethenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1066004
Property Insights of RefChem:1066004
The XLogP value of 2.4062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1066004. The TPSA of 77.77 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066004. Following Lipinski's Rule of Five, RefChem:1066004 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 RefChem:1066004?
The CAS number of RefChem:1066004 is 71160-13-9.
What is the molecular formula of RefChem:1066004?
The molecular formula of RefChem:1066004 is C17H19NO5.
What is the molecular weight of RefChem:1066004?
The molecular weight of RefChem:1066004 is 317.13 g/mol.
Where can I buy RefChem:1066004?
You can request a quote for RefChem:1066004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066004?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.