![N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide structure](/static/products/826/82617-84-3.png)
N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide
TL;DR: N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide (CAS 82617-84-3) is a chemical compound with molecular formula C20H17NO3 and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]butanamide
Also Known As: N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]butanamide, N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide, N-(4-((1,3-dioxo-1H-inden-2(3H)-ylidene)methyl)phenyl)butyramide
| Molecular Formula | C20H17NO3 |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.12085 |
| Heavy Atoms | 24 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 82617-84-3 |
|---|---|
| SMILES | CCCC(=O)NC1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | UYWJWMSHQGIEHI-UHFFFAOYSA-N |
Product Overview
N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide (CAS 82617-84-3), with molecular formula C20H17NO3 and molecular weight 319.12 g/mol. IUPAC: N-[4-[(1,3-dioxoinden-2-ylidene)methyl]phenyl]butanamide.
Chemical Property Profile of N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide
Property Insights of N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide
The XLogP value of 3.5 indicates that N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide. Following Lipinski's Rule of Five, N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide has 1 hydrogen bond donor(s) and 3 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 N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide?
The CAS number of N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide is 82617-84-3.
What is the molecular formula of N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide?
The molecular formula of N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide is C20H17NO3.
What is the molecular weight of N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide?
The molecular weight of N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide is 319.12 g/mol.
Where can I buy N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide?
You can request a quote for N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenyl}butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.