BAS 00318450
TL;DR: BAS 00318450 (CAS 321142-93-2) is a chemical compound with molecular formula C18H16N6O6 and molecular weight 412.11 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-pyridin-3-yloxyphenyl)acetamide
Also Known As: BAS 00318450, 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-[3-nitro-5-(pyridin-3-yloxy)phenyl]acetamide, 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide, 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(3-nitro-5-(pyridin-3-yloxy)phenyl)acetamide, 2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)N-(3-NITRO-5-(PYRIDIN-3-YLOXY)-PH)ACETAMIDE
| Molecular Formula | C18H16N6O6 |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 3.14234 |
| Topological Polar Surface Area | 155.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.11313 |
| Heavy Atoms | 30 |
| Complexity | 1127.6956 |
Chemical Identifiers
| CAS Number | 321142-93-2 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=CC(=CC(=C2)OC3=CN=CC=C3)[N+](=O)[O-])C)[N+](=O)[O-] |
Product Overview
BAS 00318450 (CAS 321142-93-2), with molecular formula C18H16N6O6 and molecular weight 412.11 g/mol. IUPAC: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)acetamide.
Chemical Property Profile of BAS 00318450
Property Insights of BAS 00318450
The XLogP value of 3.14234 indicates that BAS 00318450 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.32 Ų indicates high polarity, suggesting BAS 00318450 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00318450 has 1 hydrogen bond donor(s) and 8 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 00318450?
The CAS number of BAS 00318450 is 321142-93-2.
What is the molecular formula of BAS 00318450?
The molecular formula of BAS 00318450 is C18H16N6O6.
What is the molecular weight of BAS 00318450?
The molecular weight of BAS 00318450 is 412.11 g/mol.
Where can I buy BAS 00318450?
You can request a quote for BAS 00318450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00318450?
Yes, KEHONG BIO provides custom synthesis services for BAS 00318450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.