RefChem:1079132
TL;DR: RefChem:1079132 (CAS 55901-34-3) is a chemical compound with molecular formula C23H18N4O6 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
Also Known As: Benzoic acid, 4-(acetylamino)-, ((4-((3-nitrobenzoyl)oxy)phenyl)methylene)hydrazide, 4-(Acetylamino)benzoic acid ((4-((3-nitrobenzoyl)oxy)phenyl)methylene)hydrazide, RefChem:1079132, BRN 2794451
| Molecular Formula | C23H18N4O6 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 3.5363 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.12262 |
| Heavy Atoms | 33 |
| Complexity | 1220.4589 |
Chemical Identifiers
| CAS Number | 55901-34-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
RefChem:1079132 (CAS 55901-34-3), with molecular formula C23H18N4O6 and molecular weight 446.12 g/mol. IUPAC: [4-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate.
Chemical Property Profile of RefChem:1079132
Property Insights of RefChem:1079132
The XLogP value of 3.5363 indicates that RefChem:1079132 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:1079132 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1079132 has 2 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 RefChem:1079132?
The CAS number of RefChem:1079132 is 55901-34-3.
What is the molecular formula of RefChem:1079132?
The molecular formula of RefChem:1079132 is C23H18N4O6.
What is the molecular weight of RefChem:1079132?
The molecular weight of RefChem:1079132 is 446.12 g/mol.
Where can I buy RefChem:1079132?
You can request a quote for RefChem:1079132 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079132?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079132 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.