![N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide structure](/static/products/5681/56818-05-4.webp)
N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide
TL;DR: N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide (CAS 56818-05-4) is a chemical compound with molecular formula C21H26N2O7 and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-[4-acetamidobutyl(acetyl)amino]-3-oxoprop-1-enyl]-2-acetyloxyphenyl] acetate
Also Known As: N-Acetyl-N-[4- butyl]-3-[3,4-bis phenyl]propenamide, N-acetyl-N-[4-(acetylamino)butyl ]-3-[3,4-bis(acetyloxy)phenyl ]propenamide
| Molecular Formula | C21H26N2O7 |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 418.174 |
| Heavy Atoms | 30 |
| Complexity | 674.0 |
Chemical Identifiers
| CAS Number | 56818-05-4 |
|---|---|
| SMILES | CC(=O)NCCCCN(C(=O)C)C(=O)C=CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C |
| InChIKey | ZLTOYAQUCZNCJU-UHFFFAOYSA-N |
Product Overview
N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide (CAS 56818-05-4), with molecular formula C21H26N2O7 and molecular weight 418.17 g/mol. IUPAC: [4-[3-[4-acetamidobutyl(acetyl)amino]-3-oxoprop-1-enyl]-2-acetyloxyphenyl] acetate.
Chemical Property Profile of N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide
Property Insights of N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide. Following Lipinski's Rule of Five, N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide has 1 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 N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide?
The CAS number of N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide is 56818-05-4.
What is the molecular formula of N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide?
The molecular formula of N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide is C21H26N2O7.
What is the molecular weight of N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide?
The molecular weight of N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide is 418.17 g/mol.
Where can I buy N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide?
You can request a quote for N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-N-[4-(acetylamino)butyl]-3-[3,4-bis(acetyloxy)phenyl]propenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.