![6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one structure](/static/products/896/896657-08-2.png)
6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one (CAS 896657-08-2) is a chemical compound with molecular formula C22H18ClFN2O3 and molecular weight 412.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
Also Known As: 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one, 6-chloro-4-(2-(1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one, 6-Chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one, 6-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
| Molecular Formula | C22H18ClFN2O3 |
|---|---|
| Molecular Weight | 412.10 g/mol |
| LogP | 4.49494 |
| Topological Polar Surface Area | 51.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.099 |
| Heavy Atoms | 29 |
| Complexity | 1121.8312 |
Chemical Identifiers
| CAS Number | 896657-08-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CN3C(=O)COC4=C3C=C(C=C4)Cl |
Product Overview
6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one (CAS 896657-08-2), with molecular formula C22H18ClFN2O3 and molecular weight 412.10 g/mol. IUPAC: 6-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 4.49494 indicates that 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.54 Ų, 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one has 0 hydrogen bond donor(s) and 3 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 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one is 896657-08-2.
What is the molecular formula of 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one is C22H18ClFN2O3.
What is the molecular weight of 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one is 412.10 g/mol.
Where can I buy 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-4-{2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.