BAS 00318471
TL;DR: BAS 00318471 (CAS 299406-72-7) is a chemical compound with molecular formula C20H16F3N5O6 and molecular weight 479.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
Also Known As: BAS 00318471, 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide, 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide, 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-(3-(trifluoromethyl)phenoxy)phenyl)acetamide, 2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide
| Molecular Formula | C20H16F3N5O6 |
|---|---|
| Molecular Weight | 479.11 g/mol |
| LogP | 4.76614 |
| Topological Polar Surface Area | 142.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.10526 |
| Heavy Atoms | 34 |
| Complexity | 1288.189 |
Chemical Identifiers
| CAS Number | 299406-72-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)OC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])C)[N+](=O)[O-] |
Product Overview
BAS 00318471 (CAS 299406-72-7), with molecular formula C20H16F3N5O6 and molecular weight 479.11 g/mol. IUPAC: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide.
Chemical Property Profile of BAS 00318471
Property Insights of BAS 00318471
The XLogP value of 4.76614 indicates that BAS 00318471 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.43 Ų indicates high polarity, suggesting BAS 00318471 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00318471 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 BAS 00318471?
The CAS number of BAS 00318471 is 299406-72-7.
What is the molecular formula of BAS 00318471?
The molecular formula of BAS 00318471 is C20H16F3N5O6.
What is the molecular weight of BAS 00318471?
The molecular weight of BAS 00318471 is 479.11 g/mol.
Where can I buy BAS 00318471?
You can request a quote for BAS 00318471 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00318471?
Yes, KEHONG BIO provides custom synthesis services for BAS 00318471 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.