4,4'-Bis(o-acetoacetotoluidide)
TL;DR: 4,4'-Bis(o-acetoacetotoluidide) (CAS 91-96-3) is a chemical compound with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-methyl-4-[3-methyl-4-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
Also Known As: Naphthol AS-G, Naphtanilide G, Cibanaphthol AG, Kiwa Grounder G, Naphthanil G
| Molecular Formula | C22H24N2O4 |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.1736 |
| Heavy Atoms | 28 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 91-96-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)CC(=O)C)C)NC(=O)CC(=O)C |
| InChIKey | CRRLDLPBQWRVGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Bis(o-acetoacetotoluidide) (CAS 91-96-3), with molecular formula C22H24N2O4 and molecular weight 380.17 g/mol. IUPAC: N-[2-methyl-4-[3-methyl-4-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide.
Chemical Property Profile of 4,4'-Bis(o-acetoacetotoluidide)
Property Insights of 4,4'-Bis(o-acetoacetotoluidide)
The XLogP value of 3.4 indicates that 4,4'-Bis(o-acetoacetotoluidide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Bis(o-acetoacetotoluidide). Following Lipinski's Rule of Five, 4,4'-Bis(o-acetoacetotoluidide) has 2 hydrogen bond donor(s) and 4 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'-Bis(o-acetoacetotoluidide)?
The CAS number of 4,4'-Bis(o-acetoacetotoluidide) is 91-96-3.
What is the molecular formula of 4,4'-Bis(o-acetoacetotoluidide)?
The molecular formula of 4,4'-Bis(o-acetoacetotoluidide) is C22H24N2O4.
What is the molecular weight of 4,4'-Bis(o-acetoacetotoluidide)?
The molecular weight of 4,4'-Bis(o-acetoacetotoluidide) is 380.17 g/mol.
Where can I buy 4,4'-Bis(o-acetoacetotoluidide)?
You can request a quote for 4,4'-Bis(o-acetoacetotoluidide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Bis(o-acetoacetotoluidide)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Bis(o-acetoacetotoluidide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.