TA 9
TL;DR: TA 9 (CAS 15054-47-4) is a chemical compound with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethyl-2-nitrobenzamide
Also Known As: N-Antipyrinyl-N-ethyl-o-nitrobenzamide, BENZAMIDE, N-ANTIPYRINYL-N-ETHYL-o-NITRO-, 5-25-14-00123 (Beilstein Handbook Reference), N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethyl-2-nitrobenzamide, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-nitrobenzamide
| Molecular Formula | C20H20N4O4 |
|---|---|
| Molecular Weight | 380.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.14847 |
| Heavy Atoms | 28 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 15054-47-4 |
|---|---|
| SMILES | CCN(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(=O)C3=CC=CC=C3[N+](=O)[O-] |
| InChIKey | ANFBORKAUZHAPV-UHFFFAOYSA-N |
Product Overview
TA 9 (CAS 15054-47-4), with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol. IUPAC: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethyl-2-nitrobenzamide.
Chemical Property Profile of TA 9
Property Insights of TA 9
The XLogP value of 3.4 indicates that TA 9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for TA 9. Following Lipinski's Rule of Five, TA 9 has 0 hydrogen bond donor(s) and 5 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 TA 9?
The CAS number of TA 9 is 15054-47-4.
What is the molecular formula of TA 9?
The molecular formula of TA 9 is C20H20N4O4.
What is the molecular weight of TA 9?
The molecular weight of TA 9 is 380.15 g/mol.
Where can I buy TA 9?
You can request a quote for TA 9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TA 9?
Yes, KEHONG BIO provides custom synthesis services for TA 9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.