![2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one structure](/static/products/7276/727696-15-3.webp)
2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one
TL;DR: 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one (CAS 727696-15-3) is a chemical compound with molecular formula C16H16ClF2NO2 and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]propan-1-one
Also Known As: 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one, 2-chloro-1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]propan-1-one, 2-Chloro-1-(1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one, 2-chloro-1-(1-(4-(difluoromethoxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one, 2-chloro-1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-pyrrol-3-yl]propan-1-one
| Molecular Formula | C16H16ClF2NO2 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 4.50554 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.08377 |
| Heavy Atoms | 22 |
| Complexity | 678.1994 |
Chemical Identifiers
| CAS Number | 727696-15-3 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)Cl |
Product Overview
2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one (CAS 727696-15-3), with molecular formula C16H16ClF2NO2 and molecular weight 327.08 g/mol. IUPAC: 2-chloro-1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]propan-1-one.
Chemical Property Profile of 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one
Property Insights of 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one
The XLogP value of 4.50554 indicates that 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one has 0 hydrogen bond donor(s) and 2 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-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one?
The CAS number of 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one is 727696-15-3.
What is the molecular formula of 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one?
The molecular formula of 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one is C16H16ClF2NO2.
What is the molecular weight of 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one?
The molecular weight of 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one is 327.08 g/mol.
Where can I buy 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one?
You can request a quote for 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-1-{1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.