RefChem:1078965
TL;DR: RefChem:1078965 (CAS 55901-36-5) is a chemical compound with molecular formula C25H21N3O6 and molecular weight 459.14 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] 2-acetyloxybenzoate
Also Known As: Benzoic acid, 2-(acetyloxy)-, 4-(((4-(acetylamino)benzoyl)hydrazono)methyl)phenyl ester, 4-(((4-(Acetylamino)benzoyl)hydrazono)methyl)phenyl 2-(acetyloxy)benzoate, RefChem:1078965, BRN 2794681
| Molecular Formula | C25H21N3O6 |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 3.5534 |
| Topological Polar Surface Area | 123.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.14304 |
| Heavy Atoms | 34 |
| Complexity | 1234.2656 |
Chemical Identifiers
| CAS Number | 55901-36-5 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3OC(=O)C |
Product Overview
RefChem:1078965 (CAS 55901-36-5), with molecular formula C25H21N3O6 and molecular weight 459.14 g/mol. IUPAC: [4-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]phenyl] 2-acetyloxybenzoate.
Chemical Property Profile of RefChem:1078965
Property Insights of RefChem:1078965
The XLogP value of 3.5534 indicates that RefChem:1078965 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.16 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078965. Following Lipinski's Rule of Five, RefChem:1078965 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:1078965?
The CAS number of RefChem:1078965 is 55901-36-5.
What is the molecular formula of RefChem:1078965?
The molecular formula of RefChem:1078965 is C25H21N3O6.
What is the molecular weight of RefChem:1078965?
The molecular weight of RefChem:1078965 is 459.14 g/mol.
Where can I buy RefChem:1078965?
You can request a quote for RefChem:1078965 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078965?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078965 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.