![3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide structure](/static/products/5128/512813-86-4.webp)
3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide
TL;DR: 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide (CAS 512813-86-4) is a chemical compound with molecular formula C27H20Cl2F5N3O3 and molecular weight 599.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide
Also Known As: 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide, 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-4-methoxybenzamide, 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]-4-methoxybenzamide
| Molecular Formula | C27H20Cl2F5N3O3 |
|---|---|
| Molecular Weight | 599.08 g/mol |
| LogP | 7.39044 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 599.0802 |
| Heavy Atoms | 40 |
| Complexity | 1598.93 |
Chemical Identifiers
| CAS Number | 512813-86-4 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=CC(=C(C=C3)OC)COC4=C(C(=CC=C4)Cl)Cl |
Product Overview
3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide (CAS 512813-86-4), with molecular formula C27H20Cl2F5N3O3 and molecular weight 599.08 g/mol. IUPAC: 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide.
Chemical Property Profile of 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide
Property Insights of 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide
The XLogP value of 7.39044 indicates that 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide. Following Lipinski's Rule of Five, 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide?
The CAS number of 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide is 512813-86-4.
What is the molecular formula of 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide?
The molecular formula of 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide is C27H20Cl2F5N3O3.
What is the molecular weight of 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide?
The molecular weight of 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide is 599.08 g/mol.
Where can I buy 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide?
You can request a quote for 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.