![(E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid structure](/static/products/860/860786-07-8.png)
(E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid
TL;DR: (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid (CAS 860786-07-8) is a chemical compound with molecular formula C14H14N2O7 and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[6-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-3-pyridinyl]amino]-4-oxobut-2-enoic acid
Also Known As: (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid, 4-[[6-(1,3-dimethoxy-1,3-dioxopropan-2-yl)pyridin-3-yl]amino]-4-oxobut-2-enoic acid, 3-[[6-[bis(methoxycarbonyl)methyl]pyridin-3-yl]carbamoyl]prop-2-enoic Acid, 3-{[6-(1,3-dimethoxy-1,3-dioxopropan-2-yl)pyridin-3-yl]carbamoyl}prop-2-enoic acid
| Molecular Formula | C14H14N2O7 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 0.0905 |
| Topological Polar Surface Area | 131.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.0801 |
| Heavy Atoms | 23 |
| Complexity | 621.0308 |
Chemical Identifiers
| CAS Number | 860786-07-8 |
|---|---|
| SMILES | COC(=O)C(C1=NC=C(C=C1)NC(=O)C=CC(=O)O)C(=O)OC |
Product Overview
(E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid (CAS 860786-07-8), with molecular formula C14H14N2O7 and molecular weight 322.08 g/mol. IUPAC: 4-[[6-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-3-pyridinyl]amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid
Property Insights of (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid
The XLogP value of 0.0905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid. The TPSA of 131.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid has 2 hydrogen bond donor(s) and 7 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 (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid?
The CAS number of (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid is 860786-07-8.
What is the molecular formula of (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid?
The molecular formula of (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid is C14H14N2O7.
What is the molecular weight of (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid?
The molecular weight of (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid is 322.08 g/mol.
Where can I buy (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid?
You can request a quote for (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-({6-[2-methoxy-1-(methoxycarbonyl)-2-oxoethyl]-3-pyridinyl}amino)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.