RefChem:1079135
TL;DR: RefChem:1079135 (CAS 55901-31-0) is a chemical compound with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]phenyl] 4-acetamidobenzoate
Also Known As: 3-(((4-(Acetylamino)benzoyl)hydrazono)methyl)phenyl 4-(acetylamino)benzoate, Benzoic acid, 4-(acetylamino)-, 3-(((4-(acetylamino)benzoyl)hydrazono)methyl)phenyl ester, RefChem:1079135, BRN 2794651
| Molecular Formula | C25H22N4O5 |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 3.5865 |
| Topological Polar Surface Area | 125.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.15903 |
| Heavy Atoms | 34 |
| Complexity | 1234.9207 |
Chemical Identifiers
| CAS Number | 55901-31-0 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)C |
Product Overview
RefChem:1079135 (CAS 55901-31-0), with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol. IUPAC: [3-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]phenyl] 4-acetamidobenzoate.
Chemical Property Profile of RefChem:1079135
Property Insights of RefChem:1079135
The XLogP value of 3.5865 indicates that RefChem:1079135 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.96 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1079135. Following Lipinski's Rule of Five, RefChem:1079135 has 3 hydrogen bond donor(s) and 6 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:1079135?
The CAS number of RefChem:1079135 is 55901-31-0.
What is the molecular formula of RefChem:1079135?
The molecular formula of RefChem:1079135 is C25H22N4O5.
What is the molecular weight of RefChem:1079135?
The molecular weight of RefChem:1079135 is 458.16 g/mol.
Where can I buy RefChem:1079135?
You can request a quote for RefChem:1079135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079135?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.