BAS 00318412
TL;DR: BAS 00318412 (CAS 299406-73-8) is a chemical compound with molecular formula C19H14F3N5O6 and molecular weight 465.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-3-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
Also Known As: BAS 00318412, 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl}acetamide, 2-(5-methyl-3-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide, 2-(5-methyl-3-nitropyrazolyl)-N-{3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl} acetamide, 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-(3-(trifluoromethyl)phenoxy)phenyl)acetamide
| Molecular Formula | C19H14F3N5O6 |
|---|---|
| Molecular Weight | 465.09 g/mol |
| LogP | 4.45772 |
| Topological Polar Surface Area | 142.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.08963 |
| Heavy Atoms | 33 |
| Complexity | 1240.8966 |
Chemical Identifiers
| CAS Number | 299406-73-8 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)NC2=CC(=CC(=C2)OC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
BAS 00318412 (CAS 299406-73-8), with molecular formula C19H14F3N5O6 and molecular weight 465.09 g/mol. IUPAC: 2-(5-methyl-3-nitropyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]acetamide.
Chemical Property Profile of BAS 00318412
Property Insights of BAS 00318412
The XLogP value of 4.45772 indicates that BAS 00318412 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.43 Ų indicates high polarity, suggesting BAS 00318412 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00318412 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 00318412?
The CAS number of BAS 00318412 is 299406-73-8.
What is the molecular formula of BAS 00318412?
The molecular formula of BAS 00318412 is C19H14F3N5O6.
What is the molecular weight of BAS 00318412?
The molecular weight of BAS 00318412 is 465.09 g/mol.
Where can I buy BAS 00318412?
You can request a quote for BAS 00318412 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00318412?
Yes, KEHONG BIO provides custom synthesis services for BAS 00318412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.