N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea
TL;DR: N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea (CAS 680579-32-2) is a chemical compound with molecular formula C16H9ClF5N3O6 and molecular weight 469.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2,6-dimethoxy-5-nitro-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide
Also Known As: N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea, 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide, 3-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-1-(pentafluorophenyl)urea
| Molecular Formula | C16H9ClF5N3O6 |
|---|---|
| Molecular Weight | 469.01 g/mol |
| LogP | 3.9228 |
| Topological Polar Surface Area | 119.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.01 |
| Heavy Atoms | 31 |
| Complexity | 1085.1224 |
Chemical Identifiers
| CAS Number | 680579-32-2 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1[N+](=O)[O-])Cl)OC)C(=O)NC(=O)NC2=C(C(=C(C(=C2F)F)F)F)F |
Product Overview
N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea (CAS 680579-32-2), with molecular formula C16H9ClF5N3O6 and molecular weight 469.01 g/mol. IUPAC: 3-chloro-2,6-dimethoxy-5-nitro-N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide.
Chemical Property Profile of N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea
Property Insights of N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea
The XLogP value of 3.9228 indicates that N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea. Following Lipinski's Rule of Five, N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea has 2 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 N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea?
The CAS number of N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea is 680579-32-2.
What is the molecular formula of N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea?
The molecular formula of N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea is C16H9ClF5N3O6.
What is the molecular weight of N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea?
The molecular weight of N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea is 469.01 g/mol.
Where can I buy N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea?
You can request a quote for N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-2,6-dimethoxy-5-nitrobenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.