Aspergillitine
TL;DR: Aspergillitine (CAS 494767-59-8) is a chemical compound with molecular formula C15H13NO2 and molecular weight 239.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,8-trimethylpyrano[3,2-h]isoquinolin-4-one
Also Known As: aspergillitine, 2,3,8-trimethylpyrano[3,2-h]isoquinolin-4-one, J1.892.450A, 2,3,8-trimethylpyrano(3,2-h)isoquinolin-4-one, 2,3,7-Trimethyl-1H-4-oxa-6-azaphenanthrene-1-one
| Molecular Formula | C15H13NO2 |
|---|---|
| Molecular Weight | 239.09 g/mol |
| LogP | 3.26646 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.09464 |
| Heavy Atoms | 18 |
| Complexity | 831.1214 |
Chemical Identifiers
| CAS Number | 494767-59-8 |
|---|---|
| SMILES | CC1=CC2=C(C=N1)C3=C(C=C2)C(=O)C(=C(O3)C)C |
Product Overview
Aspergillitine (CAS 494767-59-8), with molecular formula C15H13NO2 and molecular weight 239.09 g/mol. IUPAC: 2,3,8-trimethylpyrano[3,2-h]isoquinolin-4-one.
Chemical Property Profile of Aspergillitine
Property Insights of Aspergillitine
The XLogP value of 3.26646 indicates that Aspergillitine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.1 Ų, Aspergillitine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aspergillitine has 0 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 Aspergillitine?
The CAS number of Aspergillitine is 494767-59-8.
What is the molecular formula of Aspergillitine?
The molecular formula of Aspergillitine is C15H13NO2.
What is the molecular weight of Aspergillitine?
The molecular weight of Aspergillitine is 239.09 g/mol.
Where can I buy Aspergillitine?
You can request a quote for Aspergillitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspergillitine?
Yes, KEHONG BIO provides custom synthesis services for Aspergillitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.