AB00089044-01
TL;DR: AB00089044-01 (CAS 5557-65-3) is a chemical compound with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-methoxyphenyl)-3-(2-nitroanilino)prop-2-en-1-one
Also Known As: AB00089044-01, (2E)-1-(4-methoxyphenyl)-3-[(2-nitrophenyl)amino]prop-2-en-1-one, (E)-1-(4-methoxyphenyl)-3-(2-nitroanilino)prop-2-en-1-one, A0485/0022475, (2E)-1-(4-Methoxyphenyl)-3-(2-nitroanilino)prop-2-en-1-one
| Molecular Formula | C16H14N2O4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 3.4119 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.09537 |
| Heavy Atoms | 22 |
| Complexity | 708.3407 |
Chemical Identifiers
| CAS Number | 5557-65-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
AB00089044-01 (CAS 5557-65-3), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: (E)-1-(4-methoxyphenyl)-3-(2-nitroanilino)prop-2-en-1-one.
Chemical Property Profile of AB00089044-01
Property Insights of AB00089044-01
The XLogP value of 3.4119 indicates that AB00089044-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00089044-01. Following Lipinski's Rule of Five, AB00089044-01 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 AB00089044-01?
The CAS number of AB00089044-01 is 5557-65-3.
What is the molecular formula of AB00089044-01?
The molecular formula of AB00089044-01 is C16H14N2O4.
What is the molecular weight of AB00089044-01?
The molecular weight of AB00089044-01 is 298.10 g/mol.
Where can I buy AB00089044-01?
You can request a quote for AB00089044-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00089044-01?
Yes, KEHONG BIO provides custom synthesis services for AB00089044-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.