Aculeatin
TL;DR: Aculeatin (CAS 523-51-3) is a chemical compound with molecular formula C16H18O5 and molecular weight 290.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3,3-dimethyloxiran-2-yl)methyl]-5,7-dimethoxychromen-2-one
Also Known As: Aculeatin, J3.446.587H, 6-[(3,3-dimethyloxiran-2-yl)methyl]-5,7-dimethoxychromen-2-one, 5,7-Dimethoxy-6-(3,3-dimethyloxirane-2-ylmethyl)-2H-1-benzopyran-2-one, 6-((3,3-dimethyloxiran-2-yl)methyl)-5,7-dimethoxychromen-2-one
| Molecular Formula | C16H18O5 |
|---|---|
| Molecular Weight | 290.12 g/mol |
| LogP | 2.5301 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.11542 |
| Heavy Atoms | 21 |
| Complexity | 744.1511 |
Chemical Identifiers
| CAS Number | 523-51-3 |
|---|---|
| SMILES | CC1(C(O1)CC2=C(C=C3C(=C2OC)C=CC(=O)O3)OC)C |
Product Overview
Aculeatin (CAS 523-51-3), with molecular formula C16H18O5 and molecular weight 290.12 g/mol. IUPAC: 6-[(3,3-dimethyloxiran-2-yl)methyl]-5,7-dimethoxychromen-2-one.
Chemical Property Profile of Aculeatin
Property Insights of Aculeatin
The XLogP value of 2.5301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aculeatin. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Aculeatin. Following Lipinski's Rule of Five, Aculeatin has 0 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 Aculeatin?
The CAS number of Aculeatin is 523-51-3.
What is the molecular formula of Aculeatin?
The molecular formula of Aculeatin is C16H18O5.
What is the molecular weight of Aculeatin?
The molecular weight of Aculeatin is 290.12 g/mol.
Where can I buy Aculeatin?
You can request a quote for Aculeatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aculeatin?
Yes, KEHONG BIO provides custom synthesis services for Aculeatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.