ChemDiv1_000835
TL;DR: ChemDiv1_000835 (CAS 353455-61-5) is a chemical compound with molecular formula C14H14BrClN4O5 and molecular weight 431.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
Also Known As: ChemDiv1_000835, 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide, F0346-1856, 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide, 2-(4-bromo-5-methyl-3-nitropyrazolyl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamid e
| Molecular Formula | C14H14BrClN4O5 |
|---|---|
| Molecular Weight | 431.98 g/mol |
| LogP | 3.17152 |
| Topological Polar Surface Area | 108.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.9836 |
| Heavy Atoms | 25 |
| Complexity | 839.115 |
Chemical Identifiers
| CAS Number | 353455-61-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=CC(=C(C=C2OC)Cl)OC)[N+](=O)[O-])Br |
Product Overview
ChemDiv1_000835 (CAS 353455-61-5), with molecular formula C14H14BrClN4O5 and molecular weight 431.98 g/mol. IUPAC: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv1_000835
Property Insights of ChemDiv1_000835
The XLogP value of 3.17152 indicates that ChemDiv1_000835 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_000835. Following Lipinski's Rule of Five, ChemDiv1_000835 has 1 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 ChemDiv1_000835?
The CAS number of ChemDiv1_000835 is 353455-61-5.
What is the molecular formula of ChemDiv1_000835?
The molecular formula of ChemDiv1_000835 is C14H14BrClN4O5.
What is the molecular weight of ChemDiv1_000835?
The molecular weight of ChemDiv1_000835 is 431.98 g/mol.
Where can I buy ChemDiv1_000835?
You can request a quote for ChemDiv1_000835 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000835?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000835 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.