N-Acetylaureothamine
TL;DR: N-Acetylaureothamine (CAS 247109-06-4) is a chemical compound with molecular formula C24H27NO5 and molecular weight 409.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(E,3Z)-3-[5-(6-methoxy-3,5-dimethyl-4-oxopyran-2-yl)oxolan-3-ylidene]-2-methylprop-1-enyl]phenyl]acetamide
Also Known As: N-Acetylaureothamine, J1.417.898H, 2-[4-[2-Methyl-3-[4-(acetylamino)phenyl]-2-propenylidene]tetrahydrofuran-2-yl]-3,5-dimethyl-6-methoxy-4H-pyran-4-one, N-(4-((E,3Z)-3-(5-(6-methoxy-3,5-dimethyl-4-oxopyran-2-yl)oxolan-3-ylidene)-2-methylprop-1-enyl)phenyl)acetamide, N-(4-{3-[5-(6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl)oxolan-3-ylidene]-2-methylprop-1-en-1-yl}phenyl)acetamide
| Molecular Formula | C24H27NO5 |
|---|---|
| Molecular Weight | 409.19 g/mol |
| LogP | 4.71494 |
| Topological Polar Surface Area | 77.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.18893 |
| Heavy Atoms | 30 |
| Complexity | 1060.2393 |
Chemical Identifiers
| CAS Number | 247109-06-4 |
|---|---|
| SMILES | CC1=C(OC(=C(C1=O)C)OC)C2C/C(=C/C(=C/C3=CC=C(C=C3)NC(=O)C)/C)/CO2 |
Product Overview
N-Acetylaureothamine (CAS 247109-06-4), with molecular formula C24H27NO5 and molecular weight 409.19 g/mol. IUPAC: N-[4-[(E,3Z)-3-[5-(6-methoxy-3,5-dimethyl-4-oxopyran-2-yl)oxolan-3-ylidene]-2-methylprop-1-enyl]phenyl]acetamide.
Chemical Property Profile of N-Acetylaureothamine
Property Insights of N-Acetylaureothamine
The XLogP value of 4.71494 indicates that N-Acetylaureothamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetylaureothamine. Following Lipinski's Rule of Five, N-Acetylaureothamine has 1 hydrogen bond donor(s) and 5 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-Acetylaureothamine?
The CAS number of N-Acetylaureothamine is 247109-06-4.
What is the molecular formula of N-Acetylaureothamine?
The molecular formula of N-Acetylaureothamine is C24H27NO5.
What is the molecular weight of N-Acetylaureothamine?
The molecular weight of N-Acetylaureothamine is 409.19 g/mol.
Where can I buy N-Acetylaureothamine?
You can request a quote for N-Acetylaureothamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylaureothamine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylaureothamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.