N-(乙酰氧基)-8-硝基-1-芘胺
TL;DR: N-(乙酰氧基)-8-硝基-1-芘胺 (CAS 114176-06-6) is a chemical compound with molecular formula C18H12N2O4 and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(乙酰氧基)-8-硝基-1-芘胺
[(8-nitropyren-1-yl)amino] acetate
Also Known As: Pet-C22-acetate, Petuniasterone-C22-O-acetate, 1-Pyrenamine, N-(acetyloxy)-8-nitro-, [(8-nitropyren-1-yl)amino] Acetate, KST-1A9923
| Molecular Formula | C18H12N2O4 |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0797 |
| Heavy Atoms | 24 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 114176-06-6 |
|---|---|
| SMILES | CC(=O)ONC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)[N+](=O)[O-] |
| InChIKey | FLECDYBBEJOCLB-UHFFFAOYSA-N |
Product Overview
N-(乙酰氧基)-8-硝基-1-芘胺 (CAS 114176-06-6), with molecular formula C18H12N2O4 and molecular weight 320.08 g/mol. IUPAC: [(8-nitropyren-1-yl)amino] acetate.
Chemical Property Profile of N-(乙酰氧基)-8-硝基-1-芘胺
Property Insights of N-(乙酰氧基)-8-硝基-1-芘胺
The XLogP value of 4.9 indicates that N-(乙酰氧基)-8-硝基-1-芘胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(乙酰氧基)-8-硝基-1-芘胺. Following Lipinski's Rule of Five, N-(乙酰氧基)-8-硝基-1-芘胺 has 1 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 N-(乙酰氧基)-8-硝基-1-芘胺?
The CAS number of N-(乙酰氧基)-8-硝基-1-芘胺 is 114176-06-6.
What is the molecular formula of N-(乙酰氧基)-8-硝基-1-芘胺?
The molecular formula of N-(乙酰氧基)-8-硝基-1-芘胺 is C18H12N2O4.
What is the molecular weight of N-(乙酰氧基)-8-硝基-1-芘胺?
The molecular weight of N-(乙酰氧基)-8-硝基-1-芘胺 is 320.08 g/mol.
Where can I buy N-(乙酰氧基)-8-硝基-1-芘胺?
You can request a quote for N-(乙酰氧基)-8-硝基-1-芘胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(乙酰氧基)-8-硝基-1-芘胺?
Yes, KEHONG BIO provides custom synthesis services for N-(乙酰氧基)-8-硝基-1-芘胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.