4',4'''-Bi-O-acetoacetanisidide
TL;DR: 4',4'''-Bi-O-acetoacetanisidide (CAS 4104-12-5) is a chemical compound with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-methoxy-4-[3-methoxy-4-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
Also Known As: 4',4'''-Bi-O-acetoacetanisidide, N,N -Diacetoacetyldianisidine, O-BUTYRANISIDIDE, 4',4''-BIS(3-OXO-, 4,4'-BIS(ACETOACETAMIDO)-3,3'-DIMETHOXYBIPHENYL, Butanamide, N,N'-(3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(3-oxo-
| Molecular Formula | C22H24N2O6 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.16342 |
| Heavy Atoms | 30 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 4104-12-5 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)CC(=O)C)OC)OC |
| InChIKey | QCGJBSHPJVTZSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4',4'''-Bi-O-acetoacetanisidide (CAS 4104-12-5), with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol. IUPAC: N-[2-methoxy-4-[3-methoxy-4-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide.
Chemical Property Profile of 4',4'''-Bi-O-acetoacetanisidide
Property Insights of 4',4'''-Bi-O-acetoacetanisidide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4',4'''-Bi-O-acetoacetanisidide. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4',4'''-Bi-O-acetoacetanisidide. Following Lipinski's Rule of Five, 4',4'''-Bi-O-acetoacetanisidide has 2 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 4',4'''-Bi-O-acetoacetanisidide?
The CAS number of 4',4'''-Bi-O-acetoacetanisidide is 4104-12-5.
What is the molecular formula of 4',4'''-Bi-O-acetoacetanisidide?
The molecular formula of 4',4'''-Bi-O-acetoacetanisidide is C22H24N2O6.
What is the molecular weight of 4',4'''-Bi-O-acetoacetanisidide?
The molecular weight of 4',4'''-Bi-O-acetoacetanisidide is 412.16 g/mol.
Where can I buy 4',4'''-Bi-O-acetoacetanisidide?
You can request a quote for 4',4'''-Bi-O-acetoacetanisidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',4'''-Bi-O-acetoacetanisidide?
Yes, KEHONG BIO provides custom synthesis services for 4',4'''-Bi-O-acetoacetanisidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.