![2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate structure](/static/products/874/874597-40-7.png)
2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
TL;DR: 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate (CAS 874597-40-7) is a chemical compound with molecular formula C23H20Cl2N2O5 and molecular weight 474.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
Also Known As: 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate, [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
| Molecular Formula | C23H20Cl2N2O5 |
|---|---|
| Molecular Weight | 474.07 g/mol |
| LogP | 4.68644 |
| Topological Polar Surface Area | 79.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.07492 |
| Heavy Atoms | 32 |
| Complexity | 1191.125 |
Chemical Identifiers
| CAS Number | 874597-40-7 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)COC(=O)C4=C(C=CC(=N4)Cl)Cl |
Product Overview
2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate (CAS 874597-40-7), with molecular formula C23H20Cl2N2O5 and molecular weight 474.07 g/mol. IUPAC: [2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
Chemical Property Profile of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
Property Insights of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
The XLogP value of 4.68644 indicates that 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate. Following Lipinski's Rule of Five, 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate has 0 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 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate?
The CAS number of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate is 874597-40-7.
What is the molecular formula of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate?
The molecular formula of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate is C23H20Cl2N2O5.
What is the molecular weight of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate?
The molecular weight of 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate is 474.07 g/mol.
Where can I buy 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate?
You can request a quote for 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-{1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-oxoethyl 3,6-dichloropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.