AB00116773-01
TL;DR: AB00116773-01 (CAS 1164533-51-0) is a chemical compound with molecular formula C20H14ClN3O5 and molecular weight 411.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide
Also Known As: AB00116773-01, N-(3-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}phenyl)furan-2-carboxamide, N-[3-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide, N-(3-{[3-(4-chloro-3-nitrophenyl)acryloyl]amino}phenyl)-2-furamide, (2E)-3-(4-chloro-3-nitrophenyl)-N-[3-(2-furylcarbonylamino)phenyl]prop-2-enami de
| Molecular Formula | C20H14ClN3O5 |
|---|---|
| Molecular Weight | 411.06 g/mol |
| LogP | 4.7454 |
| Topological Polar Surface Area | 114.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.0622 |
| Heavy Atoms | 29 |
| Complexity | 1093.256 |
Chemical Identifiers
| CAS Number | 1164533-51-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
AB00116773-01 (CAS 1164533-51-0), with molecular formula C20H14ClN3O5 and molecular weight 411.06 g/mol. IUPAC: N-[3-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]furan-2-carboxamide.
Chemical Property Profile of AB00116773-01
Property Insights of AB00116773-01
The XLogP value of 4.7454 indicates that AB00116773-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116773-01. Following Lipinski's Rule of Five, AB00116773-01 has 2 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 AB00116773-01?
The CAS number of AB00116773-01 is 1164533-51-0.
What is the molecular formula of AB00116773-01?
The molecular formula of AB00116773-01 is C20H14ClN3O5.
What is the molecular weight of AB00116773-01?
The molecular weight of AB00116773-01 is 411.06 g/mol.
Where can I buy AB00116773-01?
You can request a quote for AB00116773-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116773-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116773-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.