3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester
TL;DR: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester (CAS 59880-32-9) is a chemical compound with molecular formula C23H25NO6 and molecular weight 411.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(3-ethoxycarbonyl-2,6-dimethyl-5-prop-2-ynoxycarbonyl-1,4-dihydropyridin-4-yl)phenyl]propanoic acid
Also Known As: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester, 3-[4-(3-ethoxycarbonyl-2,6-dimethyl-5-prop-2-ynoxycarbonyl-1,4-dihydropyridin-4-yl)phenyl]propanoic acid, 3-{4-[3-(Ethoxycarbonyl)-2,6-dimethyl-5-{[(prop-2-yn-1-yl)oxy]carbonyl}-1,4-dihydropyridin-4-yl]phenyl}propanoic acid, RefChem:272155
| Molecular Formula | C23H25NO6 |
|---|---|
| Molecular Weight | 411.17 g/mol |
| LogP | 2.6781 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.16818 |
| Heavy Atoms | 30 |
| Complexity | 933.4352 |
Chemical Identifiers
| CAS Number | 59880-32-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)CCC(=O)O)C(=O)OCC#C)C)C |
Product Overview
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester (CAS 59880-32-9), with molecular formula C23H25NO6 and molecular weight 411.17 g/mol. IUPAC: 3-[4-(3-ethoxycarbonyl-2,6-dimethyl-5-prop-2-ynoxycarbonyl-1,4-dihydropyridin-4-yl)phenyl]propanoic acid.
Chemical Property Profile of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester
Property Insights of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester
The XLogP value of 2.6781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester. Following Lipinski's Rule of Five, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester has 2 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 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester?
The CAS number of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester is 59880-32-9.
What is the molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester?
The molecular formula of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester is C23H25NO6.
What is the molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester?
The molecular weight of 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester is 411.17 g/mol.
Where can I buy 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester?
You can request a quote for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(4-(2-carboxyethyl)phenyl)-2,6-dimethyl-, 3-ethyl 5-(2-propynyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.