RefChem:1066027
TL;DR: RefChem:1066027 (CAS 71160-17-3) is a chemical compound with molecular formula C19H20N2O7 and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,6-dimethyl-4-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(4-(5-nitro-2-furanyl)-1,3-butadienyl)-, dimethyl ester, dimethyl 2,6-dimethyl-4-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]-1,4-dihydropyridine-3,5-dicarboxylate, RefChem:1066027, BRN 1181035
| Molecular Formula | C19H20N2O7 |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 2.8706 |
| Topological Polar Surface Area | 120.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.12704 |
| Heavy Atoms | 28 |
| Complexity | 880.46655 |
Chemical Identifiers
| CAS Number | 71160-17-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)/C=C/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)OC |
Product Overview
RefChem:1066027 (CAS 71160-17-3), with molecular formula C19H20N2O7 and molecular weight 388.13 g/mol. IUPAC: dimethyl 2,6-dimethyl-4-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of RefChem:1066027
Property Insights of RefChem:1066027
The XLogP value of 2.8706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1066027. The TPSA of 120.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066027. Following Lipinski's Rule of Five, RefChem:1066027 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:1066027?
The CAS number of RefChem:1066027 is 71160-17-3.
What is the molecular formula of RefChem:1066027?
The molecular formula of RefChem:1066027 is C19H20N2O7.
What is the molecular weight of RefChem:1066027?
The molecular weight of RefChem:1066027 is 388.13 g/mol.
Where can I buy RefChem:1066027?
You can request a quote for RefChem:1066027 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066027?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066027 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.