![1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate structure](/static/products/7352/735296-27-2.webp)
1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate
TL;DR: 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate (CAS 735296-27-2) is a chemical compound with molecular formula C22H19ClF2N2O4 and molecular weight 448.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate
Also Known As: 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate, [1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate
| Molecular Formula | C22H19ClF2N2O4 |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | 5.17214 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.10013 |
| Heavy Atoms | 31 |
| Complexity | 1113.1987 |
Chemical Identifiers
| CAS Number | 735296-27-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)OC(=O)C3=C(N=CC=C3)Cl |
Product Overview
1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate (CAS 735296-27-2), with molecular formula C22H19ClF2N2O4 and molecular weight 448.10 g/mol. IUPAC: [1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate
Property Insights of 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate
The XLogP value of 5.17214 indicates that 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate?
The CAS number of 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate is 735296-27-2.
What is the molecular formula of 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate?
The molecular formula of 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate is C22H19ClF2N2O4.
What is the molecular weight of 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate?
The molecular weight of 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate is 448.10 g/mol.
Where can I buy 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate?
You can request a quote for 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-1-oxopropan-2-yl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.