Aspergillamide B
TL;DR: Aspergillamide B (CAS 217489-32-2) is a chemical compound with molecular formula C28H34N4O3 and molecular weight 474.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-acetamido-N-[(2S)-1-[[(E)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N,4-dimethylpentanamide
Also Known As: Aspergillamide B, J1.002.334C, (2S)-2-acetamido-N-[(2S)-1-[[(E)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N,4-dimethylpentanamide, (2S)-2-acetamido-N-((2S)-1-(((E)-2-(1H-indol-3-yl)ethenyl)amino)-1-oxo-3-phenylpropan-2-yl)-N,4-dimethylpentanamide, (2S)-2-acetamido-N-[(1S)-1-{[(1E)-2-(1H-indol-3-yl)ethenyl]carbamoyl}-2-phenylethyl]-N,4-dimethylpentanamide
| Molecular Formula | C28H34N4O3 |
|---|---|
| Molecular Weight | 474.26 g/mol |
| LogP | 3.8753 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 474.2631 |
| Heavy Atoms | 35 |
| Complexity | 1183.1453 |
Chemical Identifiers
| CAS Number | 217489-32-2 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N/C=C/C2=CNC3=CC=CC=C32)NC(=O)C |
Product Overview
Aspergillamide B (CAS 217489-32-2), with molecular formula C28H34N4O3 and molecular weight 474.26 g/mol. IUPAC: (2S)-2-acetamido-N-[(2S)-1-[[(E)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N,4-dimethylpentanamide.
Chemical Property Profile of Aspergillamide B
Property Insights of Aspergillamide B
The XLogP value of 3.8753 indicates that Aspergillamide B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Aspergillamide B. Following Lipinski's Rule of Five, Aspergillamide B has 3 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 Aspergillamide B?
The CAS number of Aspergillamide B is 217489-32-2.
What is the molecular formula of Aspergillamide B?
The molecular formula of Aspergillamide B is C28H34N4O3.
What is the molecular weight of Aspergillamide B?
The molecular weight of Aspergillamide B is 474.26 g/mol.
Where can I buy Aspergillamide B?
You can request a quote for Aspergillamide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspergillamide B?
Yes, KEHONG BIO provides custom synthesis services for Aspergillamide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.