ChemDiv1_000875
TL;DR: ChemDiv1_000875 (CAS 70962-66-2) is a chemical compound with molecular formula C18H14ClN5O6 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(3-chlorophenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
Also Known As: ChemDiv1_000875, Sparfosic acid (trisodium), BAS 00318411, N-(3-(3-Chlorophenoxy)-5-nitrophenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide, N-[3-(3-chlorophenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
| Molecular Formula | C18H14ClN5O6 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 4.09232 |
| Topological Polar Surface Area | 142.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.06326 |
| Heavy Atoms | 30 |
| Complexity | 1145.8457 |
Chemical Identifiers
| CAS Number | 70962-66-2 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)NC2=CC(=CC(=C2)OC3=CC(=CC=C3)Cl)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
ChemDiv1_000875 (CAS 70962-66-2), with molecular formula C18H14ClN5O6 and molecular weight 431.06 g/mol. IUPAC: N-[3-(3-chlorophenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of ChemDiv1_000875
Property Insights of ChemDiv1_000875
The XLogP value of 4.09232 indicates that ChemDiv1_000875 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.43 Ų indicates high polarity, suggesting ChemDiv1_000875 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_000875 has 1 hydrogen bond donor(s) and 7 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 ChemDiv1_000875?
The CAS number of ChemDiv1_000875 is 70962-66-2.
What is the molecular formula of ChemDiv1_000875?
The molecular formula of ChemDiv1_000875 is C18H14ClN5O6.
What is the molecular weight of ChemDiv1_000875?
The molecular weight of ChemDiv1_000875 is 431.06 g/mol.
Where can I buy ChemDiv1_000875?
You can request a quote for ChemDiv1_000875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000875?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.